2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid

C9H9BrClNO2 — CID 103584278

IUPAC2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1ncc(Br)cc1Cl
InChIInChI=1S/C9H9BrClNO2/c1-2-6(9(13)14)8-7(11)3-5(10)4-12-8/h3-4,6H,2H2,1H3,(H,13,14)
InChIKeyBLTNSCCXOSVTAD-UHFFFAOYSA-N
MW278.53 g/mol
LogP3.08
Rot. Bonds3

About 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid

2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid (PubChem CID 103584278) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid
PubChem CID103584278
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1ncc(Br)cc1Cl
InChIInChI=1S/C9H9BrClNO2/c1-2-6(9(13)14)8-7(11)3-5(10)4-12-8/h3-4,6H,2H2,1H3,(H,13,14)
InChIKeyBLTNSCCXOSVTAD-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 106797344
2-(5-bromo-3-nitro-2-pyridinyl)butanoic acid
CID 104572111
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
2-(2-bromo-5-chloro-1,3-thiazol-4-yl)butanoic acid
CID 118524418
(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol
CID 130774791
2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
CID 104573362
2-bromo-2-(5-bromo-3-chloro-2-pyridinyl)acetaldehyde
CID 118484940
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
2-(3-methyl-5-nitro-2-pyridinyl)butanoic acid
CID 104572156
1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 156539974

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid?
The IUPAC name of 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid (CID 103584278) is 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid?
The canonical SMILES for 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid is CCC(C(=O)O)c1ncc(Br)cc1Cl.
What is the InChIKey of 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid?
The InChIKey is BLTNSCCXOSVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-2-6(9(13)14)8-7(11)3-5(10)4-12-8/h3-4,6H,2H2,1H3,(H,13,14).
What are the key properties of 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid?
2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid has a molecular weight of 278.53 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid is sourced from PubChem (CID 103584278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).