5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid

C12H17ClN2O2 — CID 64597735

IUPAC5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
SMILESCC(C)C(C)CNc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-7(2)8(3)5-14-11-10(13)4-9(6-15-11)12(16)17/h4,6-8H,5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNXZFZTIASNJUSV-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.14
Rot. Bonds5

About 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid

5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid (PubChem CID 64597735) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
PubChem CID64597735
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
SMILESCC(C)C(C)CNc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-7(2)8(3)5-14-11-10(13)4-9(6-15-11)12(16)17/h4,6-8H,5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNXZFZTIASNJUSV-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 79249861
5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177015
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
5-chloro-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-carboxylic acid
CID 54968190
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid (CID 64597735) is 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid is CC(C)C(C)CNc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid?
The InChIKey is NXZFZTIASNJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7(2)8(3)5-14-11-10(13)4-9(6-15-11)12(16)17/h4,6-8H,5H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid?
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 64597735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).