5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid

C13H19ClN2O2 — CID 55224530

IUPAC5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCCCCC(C)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-4-5-6-9(2)16-12-11(14)7-10(8-15-12)13(17)18/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKRLJWZIFDUVTOA-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.81
Rot. Bonds7

About 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid

5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 55224530) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID55224530
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCCCCC(C)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-3-4-5-6-9(2)16-12-11(14)7-10(8-15-12)13(17)18/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKRLJWZIFDUVTOA-UHFFFAOYSA-N
XLogP3.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.81
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

5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
5-chloro-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-carboxylic acid
CID 54968190
3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 63540407
5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
CID 106231009
5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177015
5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 79249861
5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
CID 43127392
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
3-chloro-4-(hexan-2-ylamino)benzoic acid
CID 55223457
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236
4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
CID 63263541
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid (CID 55224530) is 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid is CCCCCC(C)Nc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is KRLJWZIFDUVTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-4-5-6-9(2)16-12-11(14)7-10(8-15-12)13(17)18/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid?
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 270.76 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 55224530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).