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

C7H5F2N3 — CID 130094598

IUPAC5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(N)cn1
InChIInChI=1S/C7H5F2N3/c8-7(9)5-1-4(2-10)12-3-6(5)11/h1,3,7H,11H2
InChIKeyJHJQENLPNFDTKD-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.47
Rot. Bonds1

About 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile

5-amino-4-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130094598) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130094598
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(N)cn1
InChIInChI=1S/C7H5F2N3/c8-7(9)5-1-4(2-10)12-3-6(5)11/h1,3,7H,11H2
InChIKeyJHJQENLPNFDTKD-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)-4-fluoropyridine-2-carbonitrile
CID 119007816
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
CID 118990774
2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118998082
5-amino-4-bromopyridine-2-carbonitrile
CID 130641471
4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118844697
5-(difluoromethyl)-2-ethynylpyridin-4-amine
CID 171542066
6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130098584
4-amino-5-ethylpyridine-2-carbonitrile
CID 126485327
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile (CID 130094598) is 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)c(N)cn1.
What is the InChIKey of 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is JHJQENLPNFDTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c8-7(9)5-1-4(2-10)12-3-6(5)11/h1,3,7H,11H2.
What are the key properties of 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile?
5-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 5-amino-4-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130094598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).