2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid

C13H15ClN2O3 — CID 62690770

IUPAC2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C13H15ClN2O3/c14-11-5-1-4-10(15-11)13(19)16-6-2-3-9(8-16)7-12(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)
InChIKeyQFADYZRNDRAPQW-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.06
Rot. Bonds3

About 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid

2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62690770) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62690770
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cccc(Cl)n2)C1
InChIInChI=1S/C13H15ClN2O3/c14-11-5-1-4-10(15-11)13(19)16-6-2-3-9(8-16)7-12(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)
InChIKeyQFADYZRNDRAPQW-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-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695912
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62234566
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
(6-chloro-2-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112624904
2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62691270

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid (CID 62690770) is 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2cccc(Cl)n2)C1.
What is the InChIKey of 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is QFADYZRNDRAPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-11-5-1-4-10(15-11)13(19)16-6-2-3-9(8-16)7-12(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18).
What are the key properties of 2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-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-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).