3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile

C8H5BrF2N2O — CID 130108665

IUPAC3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(Br)cc1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c1-14-8-4(7(10)11)2-5(9)6(3-12)13-8/h2,7H,1H3
InChIKeyASKUJOJSNPTUFQ-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.66
Rot. Bonds2

About 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile

3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile (PubChem CID 130108665) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
PubChem CID130108665
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(Br)cc1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c1-14-8-4(7(10)11)2-5(9)6(3-12)13-8/h2,7H,1H3
InChIKeyASKUJOJSNPTUFQ-UHFFFAOYSA-N
XLogP2.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
CID 119011483
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793
[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 130069062
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 130077962
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108569
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine
CID 119011795
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile (CID 130108665) is 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile is COc1nc(C#N)c(Br)cc1C(F)F.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
The InChIKey is ASKUJOJSNPTUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c1-14-8-4(7(10)11)2-5(9)6(3-12)13-8/h2,7H,1H3.
What are the key properties of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile has a molecular weight of 263.04 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 130108665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).