6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile

C8H7F2N3O — CID 118820029

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(CN)c(C(F)F)c1=O
InChIInChI=1S/C8H7F2N3O/c9-8(10)6-5(2-12)13-3-4(1-11)7(6)14/h3,8H,2,12H2,(H,13,14)
InChIKeyBYHCNYOQAJJJCL-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.64
Rot. Bonds2

About 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile

6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 118820029) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID118820029
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c(CN)c(C(F)F)c1=O
InChIInChI=1S/C8H7F2N3O/c9-8(10)6-5(2-12)13-3-4(1-11)7(6)14/h3,8H,2,12H2,(H,13,14)
InChIKeyBYHCNYOQAJJJCL-UHFFFAOYSA-N
XLogP0.64
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile (CID 118820029) is 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile is N#Cc1c[nH]c(CN)c(C(F)F)c1=O.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BYHCNYOQAJJJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)6-5(2-12)13-3-4(1-11)7(6)14/h3,8H,2,12H2,(H,13,14).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 199.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 118820029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).