5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid

C11H15ClN2O3 — CID 114919705

IUPAC5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCCC(COC)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H15ClN2O3/c1-3-7(6-17-2)14-10-4-8(11(15)16)9(12)5-13-10/h4-5,7H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUUNZYFWDSXXQCZ-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.27
Rot. Bonds6

About 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid

5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 114919705) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID114919705
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCCC(COC)Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C11H15ClN2O3/c1-3-7(6-17-2)14-10-4-8(11(15)16)9(12)5-13-10/h4-5,7H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUUNZYFWDSXXQCZ-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

5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
CID 114112972
5-chloro-2-(1-methylsulfanylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 114919973
5-amino-3-chloro-2-(1-methoxybutan-2-ylamino)benzoic acid
CID 107196039
5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923758
5-chloro-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114919925
5-chloro-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-4-carboxylic acid
CID 106350408
5-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carboxylic acid
CID 114919583
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
5-chloro-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-4-carboxylic acid
CID 102906562
5-chloro-6-(1-methoxybutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 166390972
2-N-(1-methoxybutan-2-yl)-5-N,5-N-dimethylpyridine-2,5-diamine
CID 115921521

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid (CID 114919705) is 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid is CCC(COC)Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is UUNZYFWDSXXQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-3-7(6-17-2)14-10-4-8(11(15)16)9(12)5-13-10/h4-5,7H,3,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid?
5-chloro-2-(1-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 5-chloro-2-(1-methoxybutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).