2-(3-isocyanophenyl)-3-phenylpyridine

C18H12N2 — CID 168821758

IUPAC2-(3-isocyanophenyl)-3-phenylpyridine
SMILES[C-]#[N+]c1cccc(-c2ncccc2-c2ccccc2)c1
InChIInChI=1S/C18H12N2/c1-19-16-10-5-9-15(13-16)18-17(11-6-12-20-18)14-7-3-2-4-8-14/h2-13H
InChIKeyMFVFBYHDIJJNIM-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.97
Rot. Bonds2

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

2-(3-isocyanophenyl)-3-phenylpyridine (PubChem CID 168821758) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(3-isocyanophenyl)-3-phenylpyridine.

Molecular Properties

Compound Name2-(3-isocyanophenyl)-3-phenylpyridine
PubChem CID168821758
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name2-(3-isocyanophenyl)-3-phenylpyridine
SMILES[C-]#[N+]c1cccc(-c2ncccc2-c2ccccc2)c1
InChIInChI=1S/C18H12N2/c1-19-16-10-5-9-15(13-16)18-17(11-6-12-20-18)14-7-3-2-4-8-14/h2-13H
InChIKeyMFVFBYHDIJJNIM-UHFFFAOYSA-N
XLogP4.97
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.97
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

2-(3-isocyanophenyl)-4-methyl-3-phenylpyridine
CID 168821568
9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
CID 155647003
2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168821667
3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile
CID 168822050
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-12-(3-isocyanophenyl)naphtho[2,1-f]quinoline
CID 164766127
12-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-6-(3-isocyanophenyl)naphtho[2,1-f]quinoline
CID 164766247
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
2-[3-[8-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[8-[4-(4-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[8-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165006967

Frequently Asked Questions

What is the IUPAC name of 2-(3-isocyanophenyl)-3-phenylpyridine?
The IUPAC name of 2-(3-isocyanophenyl)-3-phenylpyridine (CID 168821758) is 2-(3-isocyanophenyl)-3-phenylpyridine.
What is the SMILES notation for 2-(3-isocyanophenyl)-3-phenylpyridine?
The canonical SMILES for 2-(3-isocyanophenyl)-3-phenylpyridine is [C-]#[N+]c1cccc(-c2ncccc2-c2ccccc2)c1.
What is the InChIKey of 2-(3-isocyanophenyl)-3-phenylpyridine?
The InChIKey is MFVFBYHDIJJNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-19-16-10-5-9-15(13-16)18-17(11-6-12-20-18)14-7-3-2-4-8-14/h2-13H.
What are the key properties of 2-(3-isocyanophenyl)-3-phenylpyridine?
2-(3-isocyanophenyl)-3-phenylpyridine has a molecular weight of 256.31 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isocyanophenyl)-3-phenylpyridine is sourced from PubChem (CID 168821758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).