3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid

C10H13ClN2O3 — CID 107062727

IUPAC3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
SMILESCC(O)CCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-6(14)2-4-12-9-8(11)7(10(15)16)3-5-13-9/h3,5-6,14H,2,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyJKJMGXGNASYKMQ-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.62
Rot. Bonds5

About 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid

3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid (PubChem CID 107062727) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
PubChem CID107062727
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
SMILESCC(O)CCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C10H13ClN2O3/c1-6(14)2-4-12-9-8(11)7(10(15)16)3-5-13-9/h3,5-6,14H,2,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyJKJMGXGNASYKMQ-UHFFFAOYSA-N
XLogP1.62
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
CID 114145424
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid (CID 107062727) is 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid is CC(O)CCNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid?
The InChIKey is JKJMGXGNASYKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-6(14)2-4-12-9-8(11)7(10(15)16)3-5-13-9/h3,5-6,14H,2,4H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid?
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid has a molecular weight of 244.68 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107062727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).