2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile

C9H9F2N3O — CID 130084556

IUPAC2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1cc(CN)c(C(F)F)[nH]c1=O
InChIInChI=1S/C9H9F2N3O/c10-8(11)7-6(4-13)3-5(1-2-12)9(15)14-7/h3,8H,1,4,13H2,(H,14,15)
InChIKeyJVJLGNGUFJPZPD-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.84
Rot. Bonds3

About 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile

2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 130084556) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID130084556
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
SMILESN#CCc1cc(CN)c(C(F)F)[nH]c1=O
InChIInChI=1S/C9H9F2N3O/c10-8(11)7-6(4-13)3-5(1-2-12)9(15)14-7/h3,8H,1,4,13H2,(H,14,15)
InChIKeyJVJLGNGUFJPZPD-UHFFFAOYSA-N
XLogP0.84
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-amino-5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130104792
2-[2-(difluoromethyl)-5-methoxy-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118848923
2-[3-amino-2-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 130104803
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130072580
2-[5-(aminomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134666956
2-[5-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084748
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile (CID 130084556) is 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile is N#CCc1cc(CN)c(C(F)F)[nH]c1=O.
What is the InChIKey of 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is JVJLGNGUFJPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c10-8(11)7-6(4-13)3-5(1-2-12)9(15)14-7/h3,8H,1,4,13H2,(H,14,15).
What are the key properties of 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile?
2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile has a molecular weight of 213.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 130084556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).