2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine

C19H14N2 — CID 168821568

IUPAC2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine
SMILES[C-]#[N+]c1cccc(-c2nccc(C)c2-c2ccccc2)c1
InChIInChI=1S/C19H14N2/c1-14-11-12-21-19(16-9-6-10-17(13-16)20-2)18(14)15-7-4-3-5-8-15/h3-13H,1H3
InChIKeyAWMRSQYGDUUGPF-UHFFFAOYSA-N
MW270.34 g/mol
LogP5.27
Rot. Bonds2

About 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine

2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine (PubChem CID 168821568) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine.

Molecular Properties

Compound Name2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine
PubChem CID168821568
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine
SMILES[C-]#[N+]c1cccc(-c2nccc(C)c2-c2ccccc2)c1
InChIInChI=1S/C19H14N2/c1-14-11-12-21-19(16-9-6-10-17(13-16)20-2)18(14)15-7-4-3-5-8-15/h3-13H,1H3
InChIKeyAWMRSQYGDUUGPF-UHFFFAOYSA-N
XLogP5.27
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.34
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-phenyl-2-(4-phenylphenyl)pyridine
CID 71400331
2-(3-isocyanophenyl)-3-phenylpyridine
CID 168821758
4-[4-(3-isocyanophenyl)-3-methylphenyl]benzo[f]isoquinoline
CID 140693665
3,4-dimethyl-2-(3-phenylphenyl)pyridine
CID 59594024
4-methyl-2,3-dipyridin-4-ylpyridine
CID 46316601
iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 176849305
iridium;3-isocyano-5-(4-methyl-3-phenyl-2-pyridinyl)benzene-6-ide-1-carbonitrile;2-phenylpyridine
CID 168821922
2-tert-butyl-3-(3-isocyanophenyl)quinoxaline
CID 140799273
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
2-methoxy-4-methyl-3-phenylpyridine
CID 46315014
9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
CID 161477409
9-[5-(2,7-diphenylcarbazol-9-yl)-4-(3-isocyanophenyl)-3-pyridinyl]-2,7-diphenylcarbazole
CID 153486509

Frequently Asked Questions

What is the IUPAC name of 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine?
The IUPAC name of 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine (CID 168821568) is 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine.
What is the SMILES notation for 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine?
The canonical SMILES for 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine is [C-]#[N+]c1cccc(-c2nccc(C)c2-c2ccccc2)c1.
What is the InChIKey of 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine?
The InChIKey is AWMRSQYGDUUGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-14-11-12-21-19(16-9-6-10-17(13-16)20-2)18(14)15-7-4-3-5-8-15/h3-13H,1H3.
What are the key properties of 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine?
2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine has a molecular weight of 270.34 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine is sourced from PubChem (CID 168821568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).