3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid

C12H17ClN2O3 — CID 106162737

IUPAC3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
SMILESCC(CO)CCCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C12H17ClN2O3/c1-8(7-16)3-2-5-14-11-10(13)9(12(17)18)4-6-15-11/h4,6,8,16H,2-3,5,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyPIZCVFAVQGOOLV-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.25
Rot. Bonds7

About 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid

3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid (PubChem CID 106162737) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
PubChem CID106162737
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
SMILESCC(CO)CCCNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C12H17ClN2O3/c1-8(7-16)3-2-5-14-11-10(13)9(12(17)18)4-6-15-11/h4,6,8,16H,2-3,5,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyPIZCVFAVQGOOLV-UHFFFAOYSA-N
XLogP2.25
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
6-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylic acid
CID 114152080
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
1-[(5-hydroxy-4-methylpentyl)amino]isoquinoline-4-carboxylic acid
CID 106161917
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carboxylic acid
CID 106162730
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
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid (CID 106162737) is 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid is CC(CO)CCCNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid?
The InChIKey is PIZCVFAVQGOOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-8(7-16)3-2-5-14-11-10(13)9(12(17)18)4-6-15-11/h4,6,8,16H,2-3,5,7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid has a molecular weight of 272.73 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106162737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).