3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine

C7H7F2N3O — CID 145463558

IUPAC3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine
SMILESCN.N#Cc1[nH]c(=O)c(F)cc1F
InChIInChI=1S/C6H2F2N2O.CH5N/c7-3-1-4(8)6(11)10-5(3)2-9;1-2/h1H,(H,10,11);2H2,1H3
InChIKeyLBDKOJYRKRLPLQ-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.10
Rot. Bonds

About 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine

3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine (PubChem CID 145463558) has the molecular formula C7H7F2N3O and a molecular weight of 187.15 g/mol. Its IUPAC name is 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine.

Molecular Properties

Compound Name3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine
PubChem CID145463558
Molecular FormulaC7H7F2N3O
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC Name3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine
SMILESCN.N#Cc1[nH]c(=O)c(F)cc1F
InChIInChI=1S/C6H2F2N2O.CH5N/c7-3-1-4(8)6(11)10-5(3)2-9;1-2/h1H,(H,10,11);2H2,1H3
InChIKeyLBDKOJYRKRLPLQ-UHFFFAOYSA-N
XLogP0.10
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine?
The IUPAC name of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine (CID 145463558) is 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine.
What is the SMILES notation for 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine?
The canonical SMILES for 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine is CN.N#Cc1[nH]c(=O)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine?
The InChIKey is LBDKOJYRKRLPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2O.CH5N/c7-3-1-4(8)6(11)10-5(3)2-9;1-2/h1H,(H,10,11);2H2,1H3.
What are the key properties of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine?
3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine has a molecular weight of 187.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile;methanamine is sourced from PubChem (CID 145463558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).