2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid

C13H15ClN2O3 — CID 113227915

IUPAC2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C13H15ClN2O3/c14-12-10(2-1-5-15-12)13(19)16-6-3-9(4-7-16)8-11(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyMCHOPFDPQFHSJW-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.06
Rot. Bonds3

About 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid

2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 113227915) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
PubChem CID113227915
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C13H15ClN2O3/c14-12-10(2-1-5-15-12)13(19)16-6-3-9(4-7-16)8-11(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyMCHOPFDPQFHSJW-UHFFFAOYSA-N
XLogP2.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 114037536
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone
CID 119054617
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid (CID 113227915) is 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is MCHOPFDPQFHSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-12-10(2-1-5-15-12)13(19)16-6-3-9(4-7-16)8-11(17)18/h1-2,5,9H,3-4,6-8H2,(H,17,18).
What are the key properties of 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 282.73 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 113227915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).