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

C9H7BrF2N2O — CID 130077962

IUPAC6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(C(F)F)cc(CBr)nc1C#N
InChIInChI=1S/C9H7BrF2N2O/c1-15-8-6(9(11)12)2-5(3-10)14-7(8)4-13/h2,9H,3H2,1H3
InChIKeyKQBBYDOZXCUAQH-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.79
Rot. Bonds3

About 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile

6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile (PubChem CID 130077962) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
PubChem CID130077962
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
SMILESCOc1c(C(F)F)cc(CBr)nc1C#N
InChIInChI=1S/C9H7BrF2N2O/c1-15-8-6(9(11)12)2-5(3-10)14-7(8)4-13/h2,9H,3H2,1H3
InChIKeyKQBBYDOZXCUAQH-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'}

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Related Compounds

methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
ethyl 6-(bromomethyl)-2-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 133107641
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
6-(bromomethyl)-3-methoxypyridine-2-carbonitrile
CID 96536885

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
The IUPAC name of 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile (CID 130077962) is 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
The canonical SMILES for 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile is COc1c(C(F)F)cc(CBr)nc1C#N.
What is the InChIKey of 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
The InChIKey is KQBBYDOZXCUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c1-15-8-6(9(11)12)2-5(3-10)14-7(8)4-13/h2,9H,3H2,1H3.
What are the key properties of 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-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 6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 130077962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).