6-amino-5-(difluoromethyl)pyridine-3-carbonitrile

C7H5F2N3 — CID 130094585

IUPAC6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(C(F)F)c1
InChIInChI=1S/C7H5F2N3/c8-6(9)5-1-4(2-10)3-12-7(5)11/h1,3,6H,(H2,11,12)
InChIKeyNUMQTNZPUHHMCC-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.47
Rot. Bonds1

About 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile

6-amino-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130094585) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130094585
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N)c(C(F)F)c1
InChIInChI=1S/C7H5F2N3/c8-6(9)5-1-4(2-10)3-12-7(5)11/h1,3,6H,(H2,11,12)
InChIKeyNUMQTNZPUHHMCC-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

5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130095791
5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134671200
6-amino-5-(difluoromethyl)pyridin-3-ol
CID 118996069
6-amino-5-methoxypyridine-3-carbonitrile
CID 89437143
6-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 130095854
5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094598
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 119014969
2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119020158
6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
CID 130095977
6-amino-5-cyclopropylpyridine-3-carbonitrile
CID 130050388
6-amino-5-(2-methylpropyl)pyridine-3-carbonitrile;1,1-difluoroprop-1-ene
CID 177217180
6-amino-5-(1,3-oxazol-2-yl)pyridine-3-carbonitrile
CID 67086400

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile (CID 130094585) is 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(N)c(C(F)F)c1.
What is the InChIKey of 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NUMQTNZPUHHMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c8-6(9)5-1-4(2-10)3-12-7(5)11/h1,3,6H,(H2,11,12).
What are the key properties of 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile?
6-amino-5-(difluoromethyl)pyridine-3-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 6-amino-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130094585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).