4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile

C14H11ClN2O — CID 63884435

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCc1cc(OCc2ccnc(C#N)c2)ccc1Cl
InChIInChI=1S/C14H11ClN2O/c1-10-6-13(2-3-14(10)15)18-9-11-4-5-17-12(7-11)8-16/h2-7H,9H2,1H3
InChIKeyCEKBWHXPVFTQBB-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.49
Rot. Bonds3

About 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile

4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63884435) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63884435
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCc1cc(OCc2ccnc(C#N)c2)ccc1Cl
InChIInChI=1S/C14H11ClN2O/c1-10-6-13(2-3-14(10)15)18-9-11-4-5-17-12(7-11)8-16/h2-7H,9H2,1H3
InChIKeyCEKBWHXPVFTQBB-UHFFFAOYSA-N
XLogP3.49
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chloro-3-methylphenoxy)methyl]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-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 82911501
4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
CID 62937631
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 107671245
4-[(4-chloro-3-methylphenoxy)methyl]benzonitrile
CID 22688362
4-[[4-(3-aminoprop-1-ynyl)-3-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 83137717
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile (CID 63884435) is 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile is Cc1cc(OCc2ccnc(C#N)c2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is CEKBWHXPVFTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-10-6-13(2-3-14(10)15)18-9-11-4-5-17-12(7-11)8-16/h2-7H,9H2,1H3.
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile?
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.49, 3 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)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63884435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).