3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid

C7H6F2N2O3 — CID 130104913

IUPAC3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6F2N2O3/c8-5(9)2-1-11-6(12)4(10)3(2)7(13)14/h1,5H,10H2,(H,11,12)(H,13,14)
InChIKeyCRXPZRFJWIOACA-UHFFFAOYSA-N
MW204.13 g/mol
LogP0.59
Rot. Bonds2

About 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid

3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 130104913) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID130104913
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H6F2N2O3/c8-5(9)2-1-11-6(12)4(10)3(2)7(13)14/h1,5H,10H2,(H,11,12)(H,13,14)
InChIKeyCRXPZRFJWIOACA-UHFFFAOYSA-N
XLogP0.59
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid (CID 130104913) is 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid is Nc1c(C(=O)O)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is CRXPZRFJWIOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-5(9)2-1-11-6(12)4(10)3(2)7(13)14/h1,5H,10H2,(H,11,12)(H,13,14).
What are the key properties of 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid?
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 204.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 130104913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).