2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid

C13H17ClN2O4 — CID 82691470

IUPAC2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCC(OCCO)CC2)c1
InChIInChI=1S/C13H17ClN2O4/c14-11-7-9(13(18)19)8-12(15-11)16-3-1-10(2-4-16)20-6-5-17/h7-8,10,17H,1-6H2,(H,18,19)
InChIKeyLSCQBTPZQXXQTL-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.41
Rot. Bonds5

About 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid

2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 82691470) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID82691470
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCC(OCCO)CC2)c1
InChIInChI=1S/C13H17ClN2O4/c14-11-7-9(13(18)19)8-12(15-11)16-3-1-10(2-4-16)20-6-5-17/h7-8,10,17H,1-6H2,(H,18,19)
InChIKeyLSCQBTPZQXXQTL-UHFFFAOYSA-N
XLogP1.41
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
2-Chloro-6-(diethylamino)pyridine-4-carboxylic acid
CID 236989
2-Chloro-6-[fluoro(methyl)amino]pyridine-4-carboxylic acid
CID 145648262
3-chloro-2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 155227658
3-Chloro-2-fluoro-6-(3-methylmorpholin-4-yl)pyridine-4-carboxylic acid
CID 155227660
2-Chloro-6-[(3-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 43343687
2-Chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
CID 55008607
2-Chloro-6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
CID 55008661
2-Chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
CID 55008762
2-Chloro-6-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
CID 55009204
2-Chloro-6-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
CID 60892366
2-Chloro-6-[(2-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61412431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid (CID 82691470) is 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CCC(OCCO)CC2)c1.
What is the InChIKey of 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is LSCQBTPZQXXQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c14-11-7-9(13(18)19)8-12(15-11)16-3-1-10(2-4-16)20-6-5-17/h7-8,10,17H,1-6H2,(H,18,19).
What are the key properties of 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 300.74 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 82691470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).