2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid

C12H9BrN2O4 — CID 107338762

IUPAC2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccoc2Br)cn1
InChIInChI=1S/C12H9BrN2O4/c13-11-9(3-4-19-11)12(18)15-8-2-1-7(14-6-8)5-10(16)17/h1-4,6H,5H2,(H,15,18)(H,16,17)
InChIKeyNCQYRPKUKDUFCV-UHFFFAOYSA-N
MW325.12 g/mol
LogP2.32
Rot. Bonds4

About 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338762) has the molecular formula C12H9BrN2O4 and a molecular weight of 325.12 g/mol. Its IUPAC name is 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338762
Molecular FormulaC12H9BrN2O4
Molecular Weight325.12 g/mol
Exact Mass323.97
IUPAC Name2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2ccoc2Br)cn1
InChIInChI=1S/C12H9BrN2O4/c13-11-9(3-4-19-11)12(18)15-8-2-1-7(14-6-8)5-10(16)17/h1-4,6H,5H2,(H,15,18)(H,16,17)
InChIKeyNCQYRPKUKDUFCV-UHFFFAOYSA-N
XLogP2.32
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
2-[5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338349
2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338975
2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937
2-[5-[(3-chlorobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338354
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
CID 107338969
2-[5-[(4-chloro-3-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339418

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid (CID 107338762) is 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2ccoc2Br)cn1.
What is the InChIKey of 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is NCQYRPKUKDUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4/c13-11-9(3-4-19-11)12(18)15-8-2-1-7(14-6-8)5-10(16)17/h1-4,6H,5H2,(H,15,18)(H,16,17).
What are the key properties of 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 325.12 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-bromofuran-3-carbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).