2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile

C9H7BrF2N2O — CID 118822105

IUPAC2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1nc(CC#N)cc(Br)c1C(F)F
InChIInChI=1S/C9H7BrF2N2O/c1-15-9-7(8(11)12)6(10)4-5(14-9)2-3-13/h4,8H,2H2,1H3
InChIKeyKYXCJGPNVOEHFP-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.86
Rot. Bonds3

About 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile

2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile (PubChem CID 118822105) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
PubChem CID118822105
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1nc(CC#N)cc(Br)c1C(F)F
InChIInChI=1S/C9H7BrF2N2O/c1-15-9-7(8(11)12)6(10)4-5(14-9)2-3-13/h4,8H,2H2,1H3
InChIKeyKYXCJGPNVOEHFP-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile 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-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
2-[4-bromo-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 118817667
2-[4-bromo-6-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118805956
2-[4-bromo-5-(difluoromethyl)-6-iodo-2-pyridinyl]acetonitrile
CID 118833024
2-[4-bromo-6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070557
2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095106
2-[5-(difluoromethyl)-4-methoxy-6-nitro-2-pyridinyl]acetonitrile
CID 133099347
6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
CID 130087803
2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
CID 130081064
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 84765026

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile (CID 118822105) is 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile is COc1nc(CC#N)cc(Br)c1C(F)F.
What is the InChIKey of 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is KYXCJGPNVOEHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c1-15-9-7(8(11)12)6(10)4-5(14-9)2-3-13/h4,8H,2H2,1H3.
What are the key properties of 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile has a molecular weight of 277.07 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118822105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).