2-(3-bromoanilino)-2-pyridin-3-ylacetic acid

C13H11BrN2O2 — CID 54890309

IUPAC2-(3-bromoanilino)-2-pyridin-3-ylacetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H11BrN2O2/c14-10-4-1-5-11(7-10)16-12(13(17)18)9-3-2-6-15-8-9/h1-8,12,16H,(H,17,18)
InChIKeyCTQLYBPVXUHLEK-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid

2-(3-bromoanilino)-2-pyridin-3-ylacetic acid (PubChem CID 54890309) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-pyridin-3-ylacetic acid
PubChem CID54890309
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-(3-bromoanilino)-2-pyridin-3-ylacetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C13H11BrN2O2/c14-10-4-1-5-11(7-10)16-12(13(17)18)9-3-2-6-15-8-9/h1-8,12,16H,(H,17,18)
InChIKeyCTQLYBPVXUHLEK-UHFFFAOYSA-N
XLogP3.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
CID 54890261
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
CID 54887346
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
2-(3-bromoanilino)-2-(3-cyclopropylimidazol-4-yl)acetic acid
CID 66139845
1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea
CID 66962975
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79583511
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid (CID 54890309) is 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid is O=C(O)C(Nc1cccc(Br)c1)c1cccnc1.
What is the InChIKey of 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid?
The InChIKey is CTQLYBPVXUHLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-10-4-1-5-11(7-10)16-12(13(17)18)9-3-2-6-15-8-9/h1-8,12,16H,(H,17,18).
What are the key properties of 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid?
2-(3-bromoanilino)-2-pyridin-3-ylacetic acid has a molecular weight of 307.15 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 54890309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).