4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C12H10BrN3O3 — CID 107517244

IUPAC4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2ncccc2Br)c1C(=O)O
InChIInChI=1S/C12H10BrN3O3/c1-6-9(12(18)19)8(5-15-6)16-11(17)10-7(13)3-2-4-14-10/h2-5,15H,1H3,(H,16,17)(H,18,19)
InChIKeyKJHLCYCKSAKBQJ-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.43
Rot. Bonds3

About 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 107517244) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID107517244
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2ncccc2Br)c1C(=O)O
InChIInChI=1S/C12H10BrN3O3/c1-6-9(12(18)19)8(5-15-6)16-11(17)10-7(13)3-2-4-14-10/h2-5,15H,1H3,(H,16,17)(H,18,19)
InChIKeyKJHLCYCKSAKBQJ-UHFFFAOYSA-N
XLogP2.43
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880507
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107517256
N-(4-amino-2,5-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516937
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881484
2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 102921653
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 107518361

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 107517244) is 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)c2ncccc2Br)c1C(=O)O.
What is the InChIKey of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is KJHLCYCKSAKBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-6-9(12(18)19)8(5-15-6)16-11(17)10-7(13)3-2-4-14-10/h2-5,15H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 107517244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).