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

C12H15ClN2O2 — CID 107063076

IUPAC3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCCC2CC2)c1Cl
InChIInChI=1S/C12H15ClN2O2/c13-10-9(12(16)17)5-7-15-11(10)14-6-1-2-8-3-4-8/h5,7-8H,1-4,6H2,(H,14,15)(H,16,17)
InChIKeyXWOXMKZWPYRQLC-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.04
Rot. Bonds6

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

3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid (PubChem CID 107063076) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
PubChem CID107063076
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCCC2CC2)c1Cl
InChIInChI=1S/C12H15ClN2O2/c13-10-9(12(16)17)5-7-15-11(10)14-6-1-2-8-3-4-8/h5,7-8H,1-4,6H2,(H,14,15)(H,16,17)
InChIKeyXWOXMKZWPYRQLC-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921
4-(3-cyclopropylpropylamino)pyrazolo[1,5-a]pyrazine-7-carboxylic acid
CID 167930737
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid (CID 107063076) is 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCCC2CC2)c1Cl.
What is the InChIKey of 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid?
The InChIKey is XWOXMKZWPYRQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-9(12(16)17)5-7-15-11(10)14-6-1-2-8-3-4-8/h5,7-8H,1-4,6H2,(H,14,15)(H,16,17).
What are the key properties of 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid?
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).