2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine

C13H9ClN2O — CID 140744754

IUPAC2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine
SMILES[C-]#[N+]c1ccc(-c2cc(Cl)nc(OC)c2)cc1
InChIInChI=1S/C13H9ClN2O/c1-15-11-5-3-9(4-6-11)10-7-12(14)16-13(8-10)17-2/h3-8H,2H3
InChIKeyHEBYZDRZHBCMKJ-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.96
Rot. Bonds2

About 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine

2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine (PubChem CID 140744754) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine.

Molecular Properties

Compound Name2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine
PubChem CID140744754
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine
SMILES[C-]#[N+]c1ccc(-c2cc(Cl)nc(OC)c2)cc1
InChIInChI=1S/C13H9ClN2O/c1-15-11-5-3-9(4-6-11)10-7-12(14)16-13(8-10)17-2/h3-8H,2H3
InChIKeyHEBYZDRZHBCMKJ-UHFFFAOYSA-N
XLogP3.96
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-(4-isocyano-2-methylphenyl)pyridine
CID 176752838
2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine
CID 119013717
2,4-dichloro-6-methoxypyridine
CID 59872472
2-chloro-6-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 119004606
2-tert-butyl-4-isocyano-6-methoxypyridine
CID 171717491
4-(4-tert-butylphenyl)-2,6-dichloropyridine
CID 170341950
4-(4-isocyanophenyl)-1,2-dimethylbenzene
CID 146830010
1-isocyano-4-(2-methoxyphenyl)benzene
CID 59733289
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
6-methoxy-4-phenylpyridin-2-amine
CID 118992617
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133089961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine?
The IUPAC name of 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine (CID 140744754) is 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine.
What is the SMILES notation for 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine?
The canonical SMILES for 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine is [C-]#[N+]c1ccc(-c2cc(Cl)nc(OC)c2)cc1.
What is the InChIKey of 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine?
The InChIKey is HEBYZDRZHBCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-15-11-5-3-9(4-6-11)10-7-12(14)16-13(8-10)17-2/h3-8H,2H3.
What are the key properties of 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine?
2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine has a molecular weight of 244.68 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine is sourced from PubChem (CID 140744754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).