4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile

C13H9ClN2O — CID 62937631

IUPAC4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Oc2ccnc(C#N)c2)ccc1Cl
InChIInChI=1S/C13H9ClN2O/c1-9-6-11(2-3-13(9)14)17-12-4-5-16-10(7-12)8-15/h2-7H,1H3
InChIKeyRCCDQMUITUFNBQ-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.71
Rot. Bonds2

About 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile

4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile (PubChem CID 62937631) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
PubChem CID62937631
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1cc(Oc2ccnc(C#N)c2)ccc1Cl
InChIInChI=1S/C13H9ClN2O/c1-9-6-11(2-3-13(9)14)17-12-4-5-16-10(7-12)8-15/h2-7H,1H3
InChIKeyRCCDQMUITUFNBQ-UHFFFAOYSA-N
XLogP3.71
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-(2,3-dimethylphenoxy)pyridine-2-carbonitrile
CID 62935721
4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
CID 102981648
4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile
CID 81341566
4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile
CID 79843917
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449
4-[3-(4-chloro-3-methylphenoxy)propoxy]benzonitrile
CID 43289616
4-(3-methyl-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55155911
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile (CID 62937631) is 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile is Cc1cc(Oc2ccnc(C#N)c2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile?
The InChIKey is RCCDQMUITUFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-9-6-11(2-3-13(9)14)17-12-4-5-16-10(7-12)8-15/h2-7H,1H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile?
4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile has a molecular weight of 244.68 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 62937631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).