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

C7H3F3N2 — CID 130095794

IUPAC6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)cc1F
InChIInChI=1S/C7H3F3N2/c8-5-1-6(7(9)10)12-3-4(5)2-11/h1,3,7H
InChIKeySYNYMWVTWDRGMW-UHFFFAOYSA-N
MW172.11 g/mol
LogP2.03
Rot. Bonds1

About 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile

6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (PubChem CID 130095794) has the molecular formula C7H3F3N2 and a molecular weight of 172.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
PubChem CID130095794
Molecular FormulaC7H3F3N2
Molecular Weight172.11 g/mol
Exact Mass172.02
IUPAC Name6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)cc1F
InChIInChI=1S/C7H3F3N2/c8-5-1-6(7(9)10)12-3-4(5)2-11/h1,3,7H
InChIKeySYNYMWVTWDRGMW-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-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
5-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095789
2-(difluoromethyl)-5-ethyl-4-fluoropyridine
CID 176699553
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile
CID 130075909
2-(difluoromethyl)pyridine-4-carbonitrile
CID 75406284
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carbonitrile
CID 130077212
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 118848604

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (CID 130095794) is 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is N#Cc1cnc(C(F)F)cc1F.
What is the InChIKey of 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The InChIKey is SYNYMWVTWDRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2/c8-5-1-6(7(9)10)12-3-4(5)2-11/h1,3,7H.
What are the key properties of 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
6-(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 6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130095794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).