6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid

C12H17ClN2O3 — CID 107200362

IUPAC6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCCCCO)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H17ClN2O3/c1-15(7-3-2-4-8-16)11-9(12(17)18)5-6-10(13)14-11/h5-6,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPAEPRUNCDSMDJT-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.03
Rot. Bonds7

About 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid

6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 107200362) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID107200362
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCN(CCCCCO)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H17ClN2O3/c1-15(7-3-2-4-8-16)11-9(12(17)18)5-6-10(13)14-11/h5-6,16H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPAEPRUNCDSMDJT-UHFFFAOYSA-N
XLogP2.03
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
2-amino-3-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 107203240
5-amino-2-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 63116498
6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
CID 63538850

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid (CID 107200362) is 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid is CN(CCCCCO)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is PAEPRUNCDSMDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-15(7-3-2-4-8-16)11-9(12(17)18)5-6-10(13)14-11/h5-6,16H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 272.73 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 107200362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).