3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid

C11H15ClN2O3 — CID 107062716

IUPAC3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCOCCC(C)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H15ClN2O3/c1-7(4-6-17-2)14-10-9(12)8(11(15)16)3-5-13-10/h3,5,7H,4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyABUKQIVFWJJQAB-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.27
Rot. Bonds6

About 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid

3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 107062716) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID107062716
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCOCCC(C)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C11H15ClN2O3/c1-7(4-6-17-2)14-10-9(12)8(11(15)16)3-5-13-10/h3,5,7H,4,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyABUKQIVFWJJQAB-UHFFFAOYSA-N
XLogP2.27
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 107062606
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
CID 81438845
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 106811981
3-chloro-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-4-carboxylic acid
CID 107062369

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid (CID 107062716) is 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid is COCCC(C)Nc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is ABUKQIVFWJJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-7(4-6-17-2)14-10-9(12)8(11(15)16)3-5-13-10/h3,5,7H,4,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 258.70 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107062716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).