2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid

C14H11BrN2O3 — CID 66463836

IUPAC2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C14H11BrN2O3/c15-12-7-6-10(8-16-12)14(20)17(9-13(18)19)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)
InChIKeyHRAJEVAMKOANHZ-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.58
Rot. Bonds4

About 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid

2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid (PubChem CID 66463836) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
PubChem CID66463836
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C14H11BrN2O3/c15-12-7-6-10(8-16-12)14(20)17(9-13(18)19)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)
InChIKeyHRAJEVAMKOANHZ-UHFFFAOYSA-N
XLogP2.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
CID 60831323
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
3-[(6-bromopyridine-3-carbonyl)-tert-butylamino]propanoic acid
CID 66464230
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
CID 61162239

Frequently Asked Questions

What is the IUPAC name of 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid (CID 66463836) is 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid is O=C(O)CN(C(=O)c1ccc(Br)nc1)c1ccccc1.
What is the InChIKey of 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid?
The InChIKey is HRAJEVAMKOANHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-12-7-6-10(8-16-12)14(20)17(9-13(18)19)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid?
2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid has a molecular weight of 335.16 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(6-bromopyridine-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 66463836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).