2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine

C119H109FN18 — CID 161258252

IUPAC2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine
SMILESCc1cc(-c2ccccc2)ccn1.Cc1cc(-c2ccccc2)ncn1.Cc1cccc(-c2ccccc2)n1.Cc1cccc(F)n1.Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)n1.Cc1cnc(-c2ccccc2)cn1.Cc1cncc(-c2ccccc2)c1.Cc1cncc(-c2ccccc2)n1.Cc1nccc(-c2ccccc2)n1.Cc1ncnc(-c2ccccc2)n1
InChIInChI=1S/4C12H11N.5C11H10N2.C10H9N3.C6H6FN/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-9-7-13-11(8-12-9)10-5-3-2-4-6-10;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-9-7-11(13-8-12-9)10-5-3-2-4-6-10;1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-8-11-7-12-10(13-8)9-5-3-2-4-6-9;1-5-3-2-4-6(7)8-5/h4*2-9H,1H3;5*2-8H,1H3;2-7H,1H3;2-4H,1H3
InChIKeyVCFHUGNPFFJCBC-UHFFFAOYSA-N
MW1810.30 g/mol
LogP27.86
Rot. Bonds10

About 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine

2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine (PubChem CID 161258252) has the molecular formula C119H109FN18 and a molecular weight of 1810.30 g/mol. Its IUPAC name is 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine
PubChem CID161258252
Molecular FormulaC119H109FN18
Molecular Weight1810.30 g/mol
Exact Mass1808.91
IUPAC Name2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine
SMILESCc1cc(-c2ccccc2)ccn1.Cc1cc(-c2ccccc2)ncn1.Cc1cccc(-c2ccccc2)n1.Cc1cccc(F)n1.Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)n1.Cc1cnc(-c2ccccc2)cn1.Cc1cncc(-c2ccccc2)c1.Cc1cncc(-c2ccccc2)n1.Cc1nccc(-c2ccccc2)n1.Cc1ncnc(-c2ccccc2)n1
InChIInChI=1S/4C12H11N.5C11H10N2.C10H9N3.C6H6FN/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-9-7-13-11(8-12-9)10-5-3-2-4-6-10;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-9-7-11(13-8-12-9)10-5-3-2-4-6-10;1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-8-11-7-12-10(13-8)9-5-3-2-4-6-9;1-5-3-2-4-6(7)8-5/h4*2-9H,1H3;5*2-8H,1H3;2-7H,1H3;2-4H,1H3
InChIKeyVCFHUGNPFFJCBC-UHFFFAOYSA-N
XLogP27.86
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.30
LogP ≤ 527.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine (CID 161258252) is 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine is Cc1cc(-c2ccccc2)ccn1.Cc1cc(-c2ccccc2)ncn1.Cc1cccc(-c2ccccc2)n1.Cc1cccc(F)n1.Cc1ccnc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)n1.Cc1cnc(-c2ccccc2)cn1.Cc1cncc(-c2ccccc2)c1.Cc1cncc(-c2ccccc2)n1.Cc1nccc(-c2ccccc2)n1.Cc1ncnc(-c2ccccc2)n1.
What is the InChIKey of 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine?
The InChIKey is VCFHUGNPFFJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H11N.5C11H10N2.C10H9N3.C6H6FN/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-10-9-12(7-8-13-10)11-5-3-2-4-6-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-9-7-13-11(8-12-9)10-5-3-2-4-6-10;1-9-7-12-8-11(13-9)10-5-3-2-4-6-10;1-9-7-11(13-8-12-9)10-5-3-2-4-6-10;1-9-12-8-7-11(13-9)10-5-3-2-4-6-10;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-8-11-7-12-10(13-8)9-5-3-2-4-6-9;1-5-3-2-4-6(7)8-5/h4*2-9H,1H3;5*2-8H,1H3;2-7H,1H3;2-4H,1H3.
What are the key properties of 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine?
2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine has a molecular weight of 1810.30 g/mol, XLogP of 27.86, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylpyridine;2-methyl-5-phenylpyrazine;2-methyl-6-phenylpyrazine;2-methyl-4-phenylpyridine;2-methyl-6-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;2-methyl-4-phenylpyrimidine;4-methyl-2-phenylpyrimidine;4-methyl-6-phenylpyrimidine;2-methyl-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 161258252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).