(5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid

C6H5BrN2O3 — CID 170434789

IUPAC(5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C6H5BrN2O3/c7-3-1-4(9-6(11)12)5(10)8-2-3/h1-2,9H,(H,8,10)(H,11,12)
InChIKeyOCZZFTOEROAJKG-UHFFFAOYSA-N
MW233.02 g/mol
LogP1.23
Rot. Bonds1

About (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid

(5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid (PubChem CID 170434789) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid
PubChem CID170434789
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name(5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C6H5BrN2O3/c7-3-1-4(9-6(11)12)5(10)8-2-3/h1-2,9H,(H,8,10)(H,11,12)
InChIKeyOCZZFTOEROAJKG-UHFFFAOYSA-N
XLogP1.23
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13434515
N-(5-Bromo-1,2-dihydro-2-oxo-3-pyridinyl)acetamide
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[5-Bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid
CID 170434763
(2-oxo-1H-pyridin-3-yl)carbamic acid
CID 18672176
5-bromo-3-(methylamino)-1H-pyridin-2-one
CID 58229526
tert-Butyl N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)carbamate
CID 84559180
(5-iodo-2-oxo-1H-pyridin-3-yl)carbamic acid
CID 91120653
(5-Bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid
CID 135211040
(5-Bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid
CID 135211046
5-bromo-3-(hydroxyamino)-1H-pyridin-2-one
CID 143873714
(5-chloro-2-oxo-1H-pyridin-3-yl)carbamic acid
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(1-Methyl-2-oxo-3-pyridinyl)carbamic acid
CID 175194435

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid?
The IUPAC name of (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid (CID 170434789) is (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid.
What is the SMILES notation for (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid?
The canonical SMILES for (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid is O=C(O)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid?
The InChIKey is OCZZFTOEROAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c7-3-1-4(9-6(11)12)5(10)8-2-3/h1-2,9H,(H,8,10)(H,11,12).
What are the key properties of (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid?
(5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid has a molecular weight of 233.02 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid is sourced from PubChem (CID 170434789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).