2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine

C16H12N4 — CID 140775447

IUPAC2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine
SMILES[C-]#[N+]c1cc(-c2cc(C)c(-c3ccccc3)cn2)n[nH]1
InChIInChI=1S/C16H12N4/c1-11-8-14(15-9-16(17-2)20-19-15)18-10-13(11)12-6-4-3-5-7-12/h3-10H,1H3,(H,19,20)
InChIKeyLBBJNURIRAMMIC-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.00
Rot. Bonds2

About 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine

2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine (PubChem CID 140775447) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine
PubChem CID140775447
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine
SMILES[C-]#[N+]c1cc(-c2cc(C)c(-c3ccccc3)cn2)n[nH]1
InChIInChI=1S/C16H12N4/c1-11-8-14(15-9-16(17-2)20-19-15)18-10-13(11)12-6-4-3-5-7-12/h3-10H,1H3,(H,19,20)
InChIKeyLBBJNURIRAMMIC-UHFFFAOYSA-N
XLogP4.00
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
4-isocyano-5-(4-methyl-5-phenyl-2-pyridinyl)benzene-1,2-dicarbonitrile
CID 168821648
methane;4-methyl-5-(2-methylphenyl)-2-phenylpyridine
CID 142322015
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 176849305
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine
CID 140732533
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
CID 162709142
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
5-methyl-2-[6-(5-methyl-4-phenyl-2-pyridinyl)-2-pyridinyl]-4-phenylpyridine
CID 10993350

Frequently Asked Questions

What is the IUPAC name of 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine?
The IUPAC name of 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine (CID 140775447) is 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine.
What is the SMILES notation for 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine?
The canonical SMILES for 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine is [C-]#[N+]c1cc(-c2cc(C)c(-c3ccccc3)cn2)n[nH]1.
What is the InChIKey of 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine?
The InChIKey is LBBJNURIRAMMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-8-14(15-9-16(17-2)20-19-15)18-10-13(11)12-6-4-3-5-7-12/h3-10H,1H3,(H,19,20).
What are the key properties of 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine?
2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine has a molecular weight of 260.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-isocyano-1H-pyrazol-3-yl)-4-methyl-5-phenylpyridine is sourced from PubChem (CID 140775447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).