3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid

C13H19ClN2O3 — CID 114145424

IUPAC3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
SMILESCCCC(CCO)CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H19ClN2O3/c1-2-3-9(5-7-17)8-16-12-11(14)10(13(18)19)4-6-15-12/h4,6,9,17H,2-3,5,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyFXQWLXKMMBHLQV-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.64
Rot. Bonds8

About 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid

3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid (PubChem CID 114145424) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
PubChem CID114145424
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
SMILESCCCC(CCO)CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H19ClN2O3/c1-2-3-9(5-7-17)8-16-12-11(14)10(13(18)19)4-6-15-12/h4,6,9,17H,2-3,5,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyFXQWLXKMMBHLQV-UHFFFAOYSA-N
XLogP2.64
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707
3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 106115965
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
4-[2-(2-hydroxyethyl)pentylamino]-2-methylbenzoic acid
CID 106115605
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid (CID 114145424) is 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid is CCCC(CCO)CNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid?
The InChIKey is FXQWLXKMMBHLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-2-3-9(5-7-17)8-16-12-11(14)10(13(18)19)4-6-15-12/h4,6,9,17H,2-3,5,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid?
3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid has a molecular weight of 286.76 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114145424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).