5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid

C14H13ClN2O3 — CID 61236750

IUPAC5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c15-12-7-10(14(19)20)8-17-13(12)16-6-5-9-1-3-11(18)4-2-9/h1-4,7-8,18H,5-6H2,(H,16,17)(H,19,20)
InChIKeyAGGNATCGMKWQSC-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.79
Rot. Bonds5

About 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid

5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 61236750) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID61236750
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCCc2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c15-12-7-10(14(19)20)8-17-13(12)16-6-5-9-1-3-11(18)4-2-9/h1-4,7-8,18H,5-6H2,(H,16,17)(H,19,20)
InChIKeyAGGNATCGMKWQSC-UHFFFAOYSA-N
XLogP2.79
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371
6-[2-(1,2-benzoxazol-3-yl)ethylamino]-5-chloropyridine-3-carboxylic acid
CID 167808521
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
CID 114173858
5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
CID 106339921
2-chloro-4-[2-(4-hydroxyphenyl)ethylamino]benzoic acid
CID 62945453
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid (CID 61236750) is 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid is O=C(O)c1cnc(NCCc2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is AGGNATCGMKWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-12-7-10(14(19)20)8-17-13(12)16-6-5-9-1-3-11(18)4-2-9/h1-4,7-8,18H,5-6H2,(H,16,17)(H,19,20).
What are the key properties of 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid?
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61236750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).