5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C12H15ClN2O3 — CID 43590552

IUPAC5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC(CO)C2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c13-10-4-9(12(17)18)5-14-11(10)15-3-1-2-8(6-15)7-16/h4-5,8,16H,1-3,6-7H2,(H,17,18)
InChIKeyHOAFKRPXHSFSDL-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.64
Rot. Bonds3

About 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 43590552) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID43590552
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCC(CO)C2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c13-10-4-9(12(17)18)5-14-11(10)15-3-1-2-8(6-15)7-16/h4-5,8,16H,1-3,6-7H2,(H,17,18)
InChIKeyHOAFKRPXHSFSDL-UHFFFAOYSA-N
XLogP1.64
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 61404189
5-chloro-6-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 155504715
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
5-chloro-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylic acid;hydrochloride
CID 153354859
5-chloro-6-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 96572737
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
5-chloro-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 162444888
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204
5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 43592266
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
6-[(3R,4R)-3-carboxy-4-cyclopropylpyrrolidin-1-yl]-5-chloropyridine-3-carboxylic acid
CID 133118952

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 43590552) is 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCCC(CO)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is HOAFKRPXHSFSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-10-4-9(12(17)18)5-14-11(10)15-3-1-2-8(6-15)7-16/h4-5,8,16H,1-3,6-7H2,(H,17,18).
What are the key properties of 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43590552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).