2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile

C8H5F3N2 — CID 130095973

IUPAC2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(F)F)c1CF
InChIInChI=1S/C8H5F3N2/c9-3-6-5(4-12)1-2-13-7(6)8(10)11/h1-2,8H,3H2
InChIKeyZENMNNUKDGPVCF-UHFFFAOYSA-N
MW186.14 g/mol
LogP2.36
Rot. Bonds2

About 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile

2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile (PubChem CID 130095973) has the molecular formula C8H5F3N2 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile
PubChem CID130095973
Molecular FormulaC8H5F3N2
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(F)F)c1CF
InChIInChI=1S/C8H5F3N2/c9-3-6-5(4-12)1-2-13-7(6)8(10)11/h1-2,8H,3H2
InChIKeyZENMNNUKDGPVCF-UHFFFAOYSA-N
XLogP2.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118816063
2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
CID 130096732
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
CID 130095977
2-(difluoromethyl)-4-(fluoromethyl)pyridin-3-ol
CID 130097081
2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673432
[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130096431
ethyl 2-(2-bromo-4-cyano-3-pyridinyl)acetate
CID 171029855
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130098061
5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 165344407

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile (CID 130095973) is 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile is N#Cc1ccnc(C(F)F)c1CF.
What is the InChIKey of 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile?
The InChIKey is ZENMNNUKDGPVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2/c9-3-6-5(4-12)1-2-13-7(6)8(10)11/h1-2,8H,3H2.
What are the key properties of 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile?
2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile has a molecular weight of 186.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-(fluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130095973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).