3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile

C14H11ClN2O — CID 103760415

IUPAC3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cccc(Cl)n1
InChIInChI=1S/C14H11ClN2O/c1-10-5-6-11(8-16)7-13(10)18-9-12-3-2-4-14(15)17-12/h2-7H,9H2,1H3
InChIKeyBGYMVIGFMFBZTL-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.49
Rot. Bonds3

About 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile

3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile (PubChem CID 103760415) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
PubChem CID103760415
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cccc(Cl)n1
InChIInChI=1S/C14H11ClN2O/c1-10-5-6-11(8-16)7-13(10)18-9-12-3-2-4-14(15)17-12/h2-7H,9H2,1H3
InChIKeyBGYMVIGFMFBZTL-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

Computed Properties (RDKit)

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

Analyze 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile 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

2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660580
3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 104693556
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
3-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]benzonitrile
CID 63985087
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903314
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
CID 79243325
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile (CID 103760415) is 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile is Cc1ccc(C#N)cc1OCc1cccc(Cl)n1.
What is the InChIKey of 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
The InChIKey is BGYMVIGFMFBZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-10-5-6-11(8-16)7-13(10)18-9-12-3-2-4-14(15)17-12/h2-7H,9H2,1H3.
What are the key properties of 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile?
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile 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 3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile is sourced from PubChem (CID 103760415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).