4-pyridin-2-ylbutanoic acid;hydrochloride

C9H12ClNO2 — CID 50988790

IUPAC4-pyridin-2-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCc1ccccn1
InChIInChI=1S/C9H11NO2.ClH/c11-9(12)6-3-5-8-4-1-2-7-10-8;/h1-2,4,7H,3,5-6H2,(H,11,12);1H
InChIKeyAYBMHJIDLAUHPZ-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.91
Rot. Bonds4

About 4-pyridin-2-ylbutanoic acid;hydrochloride

4-pyridin-2-ylbutanoic acid;hydrochloride (PubChem CID 50988790) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-pyridin-2-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-pyridin-2-ylbutanoic acid;hydrochloride
PubChem CID50988790
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-pyridin-2-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCc1ccccn1
InChIInChI=1S/C9H11NO2.ClH/c11-9(12)6-3-5-8-4-1-2-7-10-8;/h1-2,4,7H,3,5-6H2,(H,11,12);1H
InChIKeyAYBMHJIDLAUHPZ-UHFFFAOYSA-N
XLogP1.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
3-Pyridinebutanoic acid
CID 114
3-(Pyridin-3-yl)propanoic acid
CID 259624
1-(10-Carboxydecyl)pyridin-1-ium bromide
CID 16682529
3-(3-Pyridyl)alanine
CID 152953
3-(Pyridin-2-yl)propanoic acid
CID 564292
2-Pyridineacetic acid
CID 85318
3-Pyridin-2-ylalanine
CID 2761499
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
CID 12904539
CID 12904539
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylbutanoic acid;hydrochloride?
The IUPAC name of 4-pyridin-2-ylbutanoic acid;hydrochloride (CID 50988790) is 4-pyridin-2-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-pyridin-2-ylbutanoic acid;hydrochloride?
The canonical SMILES for 4-pyridin-2-ylbutanoic acid;hydrochloride is Cl.O=C(O)CCCc1ccccn1.
What is the InChIKey of 4-pyridin-2-ylbutanoic acid;hydrochloride?
The InChIKey is AYBMHJIDLAUHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c11-9(12)6-3-5-8-4-1-2-7-10-8;/h1-2,4,7H,3,5-6H2,(H,11,12);1H.
What are the key properties of 4-pyridin-2-ylbutanoic acid;hydrochloride?
4-pyridin-2-ylbutanoic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 50988790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).