2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid

C14H11BrN2O3 — CID 103803916

IUPAC2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-12-7-10(5-6-16-12)14(20)17-11-4-2-1-3-9(11)8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyVQHSOBMSCVXIEY-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid

2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 103803916) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
PubChem CID103803916
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-12-7-10(5-6-16-12)14(20)17-11-4-2-1-3-9(11)8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
InChIKeyVQHSOBMSCVXIEY-UHFFFAOYSA-N
XLogP2.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
CID 103758980
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295295
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 103754168
N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid (CID 103803916) is 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is VQHSOBMSCVXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-12-7-10(5-6-16-12)14(20)17-11-4-2-1-3-9(11)8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid?
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 335.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 103803916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).