5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile

C7H3F3N2 — CID 130095790

IUPAC5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1cncc(C(F)F)c1F
InChIInChI=1S/C7H3F3N2/c8-6-4(1-11)2-12-3-5(6)7(9)10/h2-3,7H
InChIKeyPIMSHWWKFIGMGC-UHFFFAOYSA-N
MW172.11 g/mol
LogP2.03
Rot. Bonds1

About 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile

5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (PubChem CID 130095790) has the molecular formula C7H3F3N2 and a molecular weight of 172.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
PubChem CID130095790
Molecular FormulaC7H3F3N2
Molecular Weight172.11 g/mol
Exact Mass172.02
IUPAC Name5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1cncc(C(F)F)c1F
InChIInChI=1S/C7H3F3N2/c8-6-4(1-11)2-12-3-5(6)7(9)10/h2-3,7H
InChIKeyPIMSHWWKFIGMGC-UHFFFAOYSA-N
XLogP2.03
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130095910
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 130096481
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
4-(1-fluoroethyl)pyridine-3-carbonitrile
CID 91089599
2-(difluoromethyl)benzonitrile
CID 57421356
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (CID 130095790) is 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is N#Cc1cncc(C(F)F)c1F.
What is the InChIKey of 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The InChIKey is PIMSHWWKFIGMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2/c8-6-4(1-11)2-12-3-5(6)7(9)10/h2-3,7H.
What are the key properties of 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile has a molecular weight of 172.11 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130095790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).