4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile

C9H7BrF2N2O — CID 130077991

IUPAC4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(C(F)F)c(CBr)c1C#N
InChIInChI=1S/C9H7BrF2N2O/c1-15-9-6(3-13)5(2-10)7(4-14-9)8(11)12/h4,8H,2H2,1H3
InChIKeyPGDSTJWHWVZFDH-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.79
Rot. Bonds3

About 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile

4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 130077991) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
PubChem CID130077991
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1ncc(C(F)F)c(CBr)c1C#N
InChIInChI=1S/C9H7BrF2N2O/c1-15-9-6(3-13)5(2-10)7(4-14-9)8(11)12/h4,8H,2H2,1H3
InChIKeyPGDSTJWHWVZFDH-UHFFFAOYSA-N
XLogP2.79
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-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-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
ethyl 4-(bromomethyl)-3-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107850
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
CID 130076452
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanol
CID 130087925
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
CID 130087781
ethyl 2-[3-(bromomethyl)-4-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 133106722
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile (CID 130077991) is 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile is COc1ncc(C(F)F)c(CBr)c1C#N.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is PGDSTJWHWVZFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c1-15-9-6(3-13)5(2-10)7(4-14-9)8(11)12/h4,8H,2H2,1H3.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 277.07 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(difluoromethyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130077991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).