4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile

C8H5F3N2 — CID 130075987

IUPAC4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(C(F)F)c1F
InChIInChI=1S/C8H5F3N2/c1-4-7(9)6(8(10)11)2-5(3-12)13-4/h2,8H,1H3
InChIKeyLLLSJGSQVHCNRB-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.34
Rot. Bonds1

About 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile

4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile (PubChem CID 130075987) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile
PubChem CID130075987
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(C(F)F)c1F
InChIInChI=1S/C8H5F3N2/c1-4-7(9)6(8(10)11)2-5(3-12)13-4/h2,8H,1H3
InChIKeyLLLSJGSQVHCNRB-UHFFFAOYSA-N
XLogP2.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-5-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
CID 130078307
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130078289
5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130070992
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carboxamide
CID 118851932
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
CID 134664686
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile (CID 130075987) is 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile is Cc1nc(C#N)cc(C(F)F)c1F.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile?
The InChIKey is LLLSJGSQVHCNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c1-4-7(9)6(8(10)11)2-5(3-12)13-4/h2,8H,1H3.
What are the key properties of 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile?
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile has a molecular weight of 186.14 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130075987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).