2-pyridin-3-yloxybutanoic acid

C9H11NO3 — CID 18796174

IUPAC2-pyridin-3-yloxybutanoic acid
SMILESCCC(Oc1cccnc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-2-8(9(11)12)13-7-4-3-5-10-6-7/h3-6,8H,2H2,1H3,(H,11,12)
InChIKeyPNSUATKFUMPUPP-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.32
Rot. Bonds4

About 2-pyridin-3-yloxybutanoic acid

2-pyridin-3-yloxybutanoic acid (PubChem CID 18796174) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-pyridin-3-yloxybutanoic acid.

Molecular Properties

Compound Name2-pyridin-3-yloxybutanoic acid
PubChem CID18796174
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-pyridin-3-yloxybutanoic acid
SMILESCCC(Oc1cccnc1)C(=O)O
InChIInChI=1S/C9H11NO3/c1-2-8(9(11)12)13-7-4-3-5-10-6-7/h3-6,8H,2H2,1H3,(H,11,12)
InChIKeyPNSUATKFUMPUPP-UHFFFAOYSA-N
XLogP1.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yloxypropanoic acid
CID 22668209
3-[(1R)-1-carboxypropoxy]benzoic acid
CID 73424719
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
2-(3-methylphenoxy)butanoic acid
CID 4778922
(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
decanedioic acid;2-phenoxybutanoic acid
CID 69302201
N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine
CID 173058068
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 64669301
2-[[6-(2-carboxyethenyl)-3-pyridinyl]oxy]butanoic acid
CID 79800408
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxybutanoic acid?
The IUPAC name of 2-pyridin-3-yloxybutanoic acid (CID 18796174) is 2-pyridin-3-yloxybutanoic acid.
What is the SMILES notation for 2-pyridin-3-yloxybutanoic acid?
The canonical SMILES for 2-pyridin-3-yloxybutanoic acid is CCC(Oc1cccnc1)C(=O)O.
What is the InChIKey of 2-pyridin-3-yloxybutanoic acid?
The InChIKey is PNSUATKFUMPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-8(9(11)12)13-7-4-3-5-10-6-7/h3-6,8H,2H2,1H3,(H,11,12).
What are the key properties of 2-pyridin-3-yloxybutanoic acid?
2-pyridin-3-yloxybutanoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxybutanoic acid is sourced from PubChem (CID 18796174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).