5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine

C147H150Br2Cl8F3N25O5S2 — CID 157809665

IUPAC5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine
SMILESCC1=CC2=C(C=C1)C=C(C=C2)OC.CC1=CC2=C(C=C1)C=CC(=C2)OC.CC1=CC2=C(C=C1)C=CC(=C2)Cl.CC1=CN=C(C=C1)Cl.CC1=CN=NC=C1.CC1=NC=C(C=C1)N.CC1=NC=C(C=C1)O.CC1=NC=C(C=C1)OC.CC1=NC=C(C=C1)F.CC1=NC=C(C=C1)Cl.CC1=NC=C(C=C1)Br.CC1=CC(=NN=C1)N.CC1=CC(=C(C=N1)F)Cl.CC1=CC(=NC=N1)N.CC1=CC2=C(O1)C=C(C=C2)Cl.CC1=CC2=C(S1)C=C(C=C2)Cl.CC1=CC2=C(S1)C=CC(=C2)Cl.CC1=NC=CC(=C1)N.CC1=NC=C(C=N1)F.CC1=NC=C(C=N1)Cl.CC1=NC=C(C=N1)Br
InChIInChI=1S/2C12H12O.C11H9Cl.C9H7ClO.2C9H7ClS.C7H9NO.C6H6BrN.C6H5ClFN.2C6H6ClN.C6H6FN.2C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-2-5(7)6(8)3-9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-6(8)4-7-5;3*1-4-7-2-5(6)3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-5(6)8-7-3-4;1-5-2-3-6-7-4-5/h2*3-8H,1-2H3;2-7H,1H3;3*2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;3*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2-4,8H,1H3;3*2-3H,1H3;2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-4H,1H3
InChIKeyDHQJJSHXVRJNCT-UHFFFAOYSA-N
MW2911.50 g/mol
LogP—
Rot. Bonds3

About 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine

5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine (PubChem CID 157809665) has the molecular formula C147H150Br2Cl8F3N25O5S2 and a molecular weight of 2911.50 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine
PubChem CID157809665
Molecular FormulaC147H150Br2Cl8F3N25O5S2
Molecular Weight2911.50 g/mol
Exact Mass2910.75
IUPAC Name5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine
SMILESCC1=CC2=C(C=C1)C=C(C=C2)OC.CC1=CC2=C(C=C1)C=CC(=C2)OC.CC1=CC2=C(C=C1)C=CC(=C2)Cl.CC1=CN=C(C=C1)Cl.CC1=CN=NC=C1.CC1=NC=C(C=C1)N.CC1=NC=C(C=C1)O.CC1=NC=C(C=C1)OC.CC1=NC=C(C=C1)F.CC1=NC=C(C=C1)Cl.CC1=NC=C(C=C1)Br.CC1=CC(=NN=C1)N.CC1=CC(=C(C=N1)F)Cl.CC1=CC(=NC=N1)N.CC1=CC2=C(O1)C=C(C=C2)Cl.CC1=CC2=C(S1)C=C(C=C2)Cl.CC1=CC2=C(S1)C=CC(=C2)Cl.CC1=NC=CC(=C1)N.CC1=NC=C(C=N1)F.CC1=NC=C(C=N1)Cl.CC1=NC=C(C=N1)Br
InChIInChI=1S/2C12H12O.C11H9Cl.C9H7ClO.2C9H7ClS.C7H9NO.C6H6BrN.C6H5ClFN.2C6H6ClN.C6H6FN.2C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-2-5(7)6(8)3-9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-6(8)4-7-5;3*1-4-7-2-5(6)3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-5(6)8-7-3-4;1-5-2-3-6-7-4-5/h2*3-8H,1-2H3;2-7H,1H3;3*2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;3*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2-4,8H,1H3;3*2-3H,1H3;2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-4H,1H3
InChIKeyDHQJJSHXVRJNCT-UHFFFAOYSA-N
XLogP—
TPSA492.00 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds3
Heavy Atoms192
Complexity2050

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002911.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
The IUPAC name of 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine (CID 157809665) is 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
The canonical SMILES for 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine is CC1=CC2=C(C=C1)C=C(C=C2)OC.CC1=CC2=C(C=C1)C=CC(=C2)OC.CC1=CC2=C(C=C1)C=CC(=C2)Cl.CC1=CN=C(C=C1)Cl.CC1=CN=NC=C1.CC1=NC=C(C=C1)N.CC1=NC=C(C=C1)O.CC1=NC=C(C=C1)OC.CC1=NC=C(C=C1)F.CC1=NC=C(C=C1)Cl.CC1=NC=C(C=C1)Br.CC1=CC(=NN=C1)N.CC1=CC(=C(C=N1)F)Cl.CC1=CC(=NC=N1)N.CC1=CC2=C(O1)C=C(C=C2)Cl.CC1=CC2=C(S1)C=C(C=C2)Cl.CC1=CC2=C(S1)C=CC(=C2)Cl.CC1=NC=CC(=C1)N.CC1=NC=C(C=N1)F.CC1=NC=C(C=N1)Cl.CC1=NC=C(C=N1)Br.
What is the InChIKey of 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
The InChIKey is DHQJJSHXVRJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12O.C11H9Cl.C9H7ClO.2C9H7ClS.C7H9NO.C6H6BrN.C6H5ClFN.2C6H6ClN.C6H6FN.2C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-2-5(7)6(8)3-9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-6(8)4-7-5;3*1-4-7-2-5(6)3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-5(6)8-7-3-4;1-5-2-3-6-7-4-5/h2*3-8H,1-2H3;2-7H,1H3;3*2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-3H,1H3;3*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2-4,8H,1H3;3*2-3H,1H3;2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-4H,1H3.
What are the key properties of 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine has a molecular weight of 2911.50 g/mol, XLogP of not available, 3 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-7-methylnaphthalene;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine is sourced from PubChem (CID 157809665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).