2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine

C54H67BrCl2N10O4 — CID 159268741

IUPAC2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine
SMILESC.CC.Cc1ccc(C)c([N+](=O)[O-])n1.Cc1ccc(C)nc1.Cc1cccnc1.Cc1cccnc1Br.Cc1cccnc1Cl.Cc1cccnc1[N+](=O)[O-].Cc1cncc(C)c1.Cc1cncc(Cl)c1
InChIInChI=1S/C7H8N2O2.2C7H9N.C6H6BrN.2C6H6ClN.C6H6N2O2.C6H7N.C2H6.CH4/c1-5-3-4-6(2)8-7(5)9(10)11;1-6-3-7(2)5-8-4-6;1-6-3-4-7(2)8-5-6;1-5-3-2-4-8-6(5)7;1-5-2-6(7)4-8-3-5;1-5-3-2-4-8-6(5)7;1-5-3-2-4-7-6(5)8(9)10;1-6-3-2-4-7-5-6;1-2;/h3-4H,1-2H3;2*3-5H,1-2H3;3*2-4H,1H3;2-4H,1H3;2-5H,1H3;1-2H3;1H4
InChIKeyKXKZFEGCKSBVPJ-UHFFFAOYSA-N
MW1071.01 g/mol
LogP15.59
Rot. Bonds2

About 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine

2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine (PubChem CID 159268741) has the molecular formula C54H67BrCl2N10O4 and a molecular weight of 1071.01 g/mol. Its IUPAC name is 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine
PubChem CID159268741
Molecular FormulaC54H67BrCl2N10O4
Molecular Weight1071.01 g/mol
Exact Mass1068.39
IUPAC Name2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine
SMILESC.CC.Cc1ccc(C)c([N+](=O)[O-])n1.Cc1ccc(C)nc1.Cc1cccnc1.Cc1cccnc1Br.Cc1cccnc1Cl.Cc1cccnc1[N+](=O)[O-].Cc1cncc(C)c1.Cc1cncc(Cl)c1
InChIInChI=1S/C7H8N2O2.2C7H9N.C6H6BrN.2C6H6ClN.C6H6N2O2.C6H7N.C2H6.CH4/c1-5-3-4-6(2)8-7(5)9(10)11;1-6-3-7(2)5-8-4-6;1-6-3-4-7(2)8-5-6;1-5-3-2-4-8-6(5)7;1-5-2-6(7)4-8-3-5;1-5-3-2-4-8-6(5)7;1-5-3-2-4-7-6(5)8(9)10;1-6-3-2-4-7-5-6;1-2;/h3-4H,1-2H3;2*3-5H,1-2H3;3*2-4H,1H3;2-4H,1H3;2-5H,1H3;1-2H3;1H4
InChIKeyKXKZFEGCKSBVPJ-UHFFFAOYSA-N
XLogP15.59
TPSA189.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.01
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-5-chloropyridine;bis((5-chloro-2-pyridinyl)imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-lambda6-sulfane);imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-lambda6-sulfane
CID 157405621
2-bromo-5-chloro-3-nitropyridine;5-chloro-3-nitro-2-prop-1-en-2-ylpyridine;(E)-hex-2-ene;2-methylprop-1-ene;3-nitro-5-[(E)-pent-1-enyl]-2-prop-1-en-2-ylpyridine;5-pentyl-2-propan-2-ylpyridin-3-amine
CID 158576833
5-Chloro-2-methylpyridine;2,3-dichloro-6-methylpyridine;bis(2,5-dimethylpyridine);5-ethynyl-2-methylpyridine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;2-methyl-5-nitropyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 158764298
2-bromo-4-chloro-5-nitropyridine;2-bromo-4-methyl-5-nitropyridine;5-isocyano-N-(4-methyl-5-nitro-2-pyridinyl)pyrazin-2-amine;5-isocyanopyrazin-2-amine;2-N-(5-isocyanopyrazin-2-yl)-4-methylpyridine-2,5-diamine
CID 159252263
3-Bromo-5-fluoropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-fluoropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane;methane
CID 160541513
3-Chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine
CID 160683295
3-Chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine
CID 161181476
3-Bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane
CID 161217841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine?
The IUPAC name of 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine (CID 159268741) is 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine.
What is the SMILES notation for 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine?
The canonical SMILES for 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine is C.CC.Cc1ccc(C)c([N+](=O)[O-])n1.Cc1ccc(C)nc1.Cc1cccnc1.Cc1cccnc1Br.Cc1cccnc1Cl.Cc1cccnc1[N+](=O)[O-].Cc1cncc(C)c1.Cc1cncc(Cl)c1.
What is the InChIKey of 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine?
The InChIKey is KXKZFEGCKSBVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.2C7H9N.C6H6BrN.2C6H6ClN.C6H6N2O2.C6H7N.C2H6.CH4/c1-5-3-4-6(2)8-7(5)9(10)11;1-6-3-7(2)5-8-4-6;1-6-3-4-7(2)8-5-6;1-5-3-2-4-8-6(5)7;1-5-2-6(7)4-8-3-5;1-5-3-2-4-8-6(5)7;1-5-3-2-4-7-6(5)8(9)10;1-6-3-2-4-7-5-6;1-2;/h3-4H,1-2H3;2*3-5H,1-2H3;3*2-4H,1H3;2-4H,1H3;2-5H,1H3;1-2H3;1H4.
What are the key properties of 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine?
2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine has a molecular weight of 1071.01 g/mol, XLogP of 15.59, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylpyridine;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;3,6-dimethyl-2-nitropyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;ethane;methane;3-methyl-2-nitropyridine;3-methylpyridine is sourced from PubChem (CID 159268741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).