5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid

C12H17ClN2O3 — CID 114177015

IUPAC5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)C(CCO)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-7(2)10(3-4-16)15-11-9(13)5-8(6-14-11)12(17)18/h5-7,10,16H,3-4H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyQBTGOLDZWWLVHE-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.25
Rot. Bonds6

About 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid

5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114177015) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114177015
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)C(CCO)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-7(2)10(3-4-16)15-11-9(13)5-8(6-14-11)12(17)18/h5-7,10,16H,3-4H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyQBTGOLDZWWLVHE-UHFFFAOYSA-N
XLogP2.25
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Clonixin
CID 28718
2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
6-Amino-5-methylpyridine-3-carboxylic acid
CID 45084752
6-(Cyclopentylamino)nicotinic acid
CID 1447952
6-(Ethylamino)pyridine-3-carboxylic acid
CID 11744994
6-(Prop-2-enylamino)pyridine-3-carboxylic acid
CID 28399894
6-(Propylamino)nicotinic acid
CID 28399946
6-[(2-Methoxyethyl)amino]pyridine-3-carboxylic acid
CID 28400019
6-(Butylamino)pyridine-3-carboxylic acid
CID 28400380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid (CID 114177015) is 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid is CC(C)C(CCO)Nc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is QBTGOLDZWWLVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-7(2)10(3-4-16)15-11-9(13)5-8(6-14-11)12(17)18/h5-7,10,16H,3-4H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 272.73 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114177015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).