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

C14H12BrN3O3 — CID 104743808

IUPAC3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(Br)c(NC(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H12BrN3O3/c1-8-4-5-9(15)11(7-8)18-14(21)17-10-3-2-6-16-12(10)13(19)20/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyKLJWYVXTEQYXGC-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.49
Rot. Bonds3

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

3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104743808) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID104743808
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(Br)c(NC(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H12BrN3O3/c1-8-4-5-9(15)11(7-8)18-14(21)17-10-3-2-6-16-12(10)13(19)20/h2-7H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyKLJWYVXTEQYXGC-UHFFFAOYSA-N
XLogP3.49
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739652
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
(2-bromo-5-methylphenyl)urea
CID 82707313
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 104743808) is 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid is Cc1ccc(Br)c(NC(=O)Nc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is KLJWYVXTEQYXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-8-4-5-9(15)11(7-8)18-14(21)17-10-3-2-6-16-12(10)13(19)20/h2-7H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 350.17 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).