5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid

C13H9BrClN3O3 — CID 63158172

IUPAC5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESO=C(Nc1cncc(C(=O)O)c1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H9BrClN3O3/c14-8-1-2-11(10(15)4-8)18-13(21)17-9-3-7(12(19)20)5-16-6-9/h1-6H,(H,19,20)(H2,17,18,21)
InChIKeyJAPDAJOGGNZMHS-UHFFFAOYSA-N
MW370.59 g/mol
LogP3.84
Rot. Bonds3

About 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid

5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63158172) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
PubChem CID63158172
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESO=C(Nc1cncc(C(=O)O)c1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H9BrClN3O3/c14-8-1-2-11(10(15)4-8)18-13(21)17-9-3-7(12(19)20)5-16-6-9/h1-6H,(H,19,20)(H2,17,18,21)
InChIKeyJAPDAJOGGNZMHS-UHFFFAOYSA-N
XLogP3.84
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157578
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446
5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158221
5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030
(2S)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61194468
5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157990
5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63154381
6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 43347442
5-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 113469480
5-[(4-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432204

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid (CID 63158172) is 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid is O=C(Nc1cncc(C(=O)O)c1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is JAPDAJOGGNZMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-8-1-2-11(10(15)4-8)18-13(21)17-9-3-7(12(19)20)5-16-6-9/h1-6H,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 370.59 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).