2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid

C9H10BrNO2 — CID 174767599

IUPAC2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
SMILESCCc1ccc(CC(=O)O)nc1Br
InChIInChI=1S/C9H10BrNO2/c1-2-6-3-4-7(5-8(12)13)11-9(6)10/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyXNCGIICRWZRCPK-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.03
Rot. Bonds3

About 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid

2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid (PubChem CID 174767599) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
PubChem CID174767599
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid
SMILESCCc1ccc(CC(=O)O)nc1Br
InChIInChI=1S/C9H10BrNO2/c1-2-6-3-4-7(5-8(12)13)11-9(6)10/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyXNCGIICRWZRCPK-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 119015163
(6-bromo-5-ethyl-2-pyridinyl) acetate
CID 174767596
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide
CID 153490406
2-(6-chloro-5-hydroxy-2-pyridinyl)acetic acid
CID 82602547
2-(7,8-dimethylquinolin-2-yl)acetic acid
CID 39099969
(2-bromo-6-butyl-3-pyridinyl)methanol
CID 119083951
CID 131847838
CID 131847838
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852863
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide
CID 153490422
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid (CID 174767599) is 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid is CCc1ccc(CC(=O)O)nc1Br.
What is the InChIKey of 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid?
The InChIKey is XNCGIICRWZRCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-2-6-3-4-7(5-8(12)13)11-9(6)10/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid?
2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid has a molecular weight of 244.09 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-ethyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 174767599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).