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

C7H4BrF2NO3 — CID 118839882

IUPAC4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H4BrF2NO3/c8-4-2(5(9)10)1-11-6(12)3(4)7(13)14/h1,5H,(H,11,12)(H,13,14)
InChIKeyPPOUCOAZGFHTDG-UHFFFAOYSA-N
MW268.01 g/mol
LogP1.77
Rot. Bonds2

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

4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118839882) has the molecular formula C7H4BrF2NO3 and a molecular weight of 268.01 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118839882
Molecular FormulaC7H4BrF2NO3
Molecular Weight268.01 g/mol
Exact Mass266.93
IUPAC Name4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H4BrF2NO3/c8-4-2(5(9)10)1-11-6(12)3(4)7(13)14/h1,5H,(H,11,12)(H,13,14)
InChIKeyPPOUCOAZGFHTDG-UHFFFAOYSA-N
XLogP1.77
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
3-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130110437
5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid
CID 130079670
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130110034
5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 130083110
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130110070
5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
5-fluoro-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 67784866

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118839882) is 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(Br)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is PPOUCOAZGFHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO3/c8-4-2(5(9)10)1-11-6(12)3(4)7(13)14/h1,5H,(H,11,12)(H,13,14).
What are the key properties of 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 268.01 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118839882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).