4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid

C11H13ClN2O3 — CID 87802411

IUPAC4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc(Cl)n2)CC1
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-3-10(13-9)17-8-4-6-14(7-5-8)11(15)16/h1-3,8H,4-7H2,(H,15,16)
InChIKeyIBOJNKRTJFQRSW-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.26
Rot. Bonds2

About 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid

4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid (PubChem CID 87802411) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
PubChem CID87802411
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc(Cl)n2)CC1
InChIInChI=1S/C11H13ClN2O3/c12-9-2-1-3-10(13-9)17-8-4-6-14(7-5-8)11(15)16/h1-3,8H,4-7H2,(H,15,16)
InChIKeyIBOJNKRTJFQRSW-UHFFFAOYSA-N
XLogP2.26
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.26
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

4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87945005
4-(3-chlorophenoxy)piperidine-1-carboxylic acid
CID 22353407
4-(5-bromo-6-chloropyrazin-2-yl)oxypiperidine-1-carboxylic acid
CID 87848540
6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
(3S)-3-[[6-(3-formylphenyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxylic acid
CID 145063661
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
(2,5-dichlorophenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799558
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
(6-chloro-2-pyridinyl) cyclobutanecarboxylate
CID 174618359
4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 135155112

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid (CID 87802411) is 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cccc(Cl)n2)CC1.
What is the InChIKey of 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The InChIKey is IBOJNKRTJFQRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-2-1-3-10(13-9)17-8-4-6-14(7-5-8)11(15)16/h1-3,8H,4-7H2,(H,15,16).
What are the key properties of 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 87802411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).