5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid

C10H13ClN2O3 — CID 102698529

IUPAC5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
SMILESCOC(C)CNc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-6(16-2)4-12-9-8(11)3-7(5-13-9)10(14)15/h3,5-6H,4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyADRNUPFCKLLXTF-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.88
Rot. Bonds5

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

5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid (PubChem CID 102698529) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
PubChem CID102698529
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
SMILESCOC(C)CNc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H13ClN2O3/c1-6(16-2)4-12-9-8(11)3-7(5-13-9)10(14)15/h3,5-6H,4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyADRNUPFCKLLXTF-UHFFFAOYSA-N
XLogP1.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
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-(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-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177015
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
5-chloro-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-carboxylic acid
CID 54968190
5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439410
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
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-methoxypropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid (CID 102698529) is 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid is COC(C)CNc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid?
The InChIKey is ADRNUPFCKLLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-6(16-2)4-12-9-8(11)3-7(5-13-9)10(14)15/h3,5-6H,4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid?
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid has a molecular weight of 244.68 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 102698529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).