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

C7H5F2N3 — CID 130094588

IUPAC3-amino-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(C(F)F)c1N
InChIInChI=1S/C7H5F2N3/c8-7(9)4-1-2-12-5(3-10)6(4)11/h1-2,7H,11H2
InChIKeyUAFCZRQLDMOCNU-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.47
Rot. Bonds1

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

3-amino-4-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130094588) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130094588
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name3-amino-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(C(F)F)c1N
InChIInChI=1S/C7H5F2N3/c8-7(9)4-1-2-12-5(3-10)6(4)11/h1-2,7H,11H2
InChIKeyUAFCZRQLDMOCNU-UHFFFAOYSA-N
XLogP1.47
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130095942
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099
4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095787
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428
4-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095951
3-bromo-4-(difluoromethyl)pyridin-2-amine
CID 119020866
2-[3-amino-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130094889
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130095837
3-bromopyridine-2,4-dicarbonitrile
CID 150877137
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
CID 130777634

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile (CID 130094588) is 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nccc(C(F)F)c1N.
What is the InChIKey of 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is UAFCZRQLDMOCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c8-7(9)4-1-2-12-5(3-10)6(4)11/h1-2,7H,11H2.
What are the key properties of 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
3-amino-4-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 169.13 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130094588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).