5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid

C11H15ClN2O3 — CID 107317996

IUPAC5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NCCCCCO)ncc1Cl
InChIInChI=1S/C11H15ClN2O3/c12-9-7-14-10(6-8(9)11(16)17)13-4-2-1-3-5-15/h6-7,15H,1-5H2,(H,13,14)(H,16,17)
InChIKeyLLMRJWAIACNCNW-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.01
Rot. Bonds7

About 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid

5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid (PubChem CID 107317996) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
PubChem CID107317996
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NCCCCCO)ncc1Cl
InChIInChI=1S/C11H15ClN2O3/c12-9-7-14-10(6-8(9)11(16)17)13-4-2-1-3-5-15/h6-7,15H,1-5H2,(H,13,14)(H,16,17)
InChIKeyLLMRJWAIACNCNW-UHFFFAOYSA-N
XLogP2.01
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.01
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

2-(4-hydroxybutylamino)-5-nitropyridine-4-carboxylic acid
CID 114089930
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5-chloro-2-[2-(methylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 114175613
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
CID 107853620
5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
CID 114919583
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid (CID 107317996) is 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid is O=C(O)c1cc(NCCCCCO)ncc1Cl.
What is the InChIKey of 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid?
The InChIKey is LLMRJWAIACNCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c12-9-7-14-10(6-8(9)11(16)17)13-4-2-1-3-5-15/h6-7,15H,1-5H2,(H,13,14)(H,16,17).
What are the key properties of 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid?
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid has a molecular weight of 258.70 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107317996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).