5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid

C14H13ClN2O3 — CID 82535163

IUPAC5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-9(2-4-11)13(18)8-17-12-5-10(14(19)20)6-16-7-12/h1-7,13,17-18H,8H2,(H,19,20)
InChIKeyFZGBKFQKDQROCR-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.58
Rot. Bonds5

About 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid

5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid (PubChem CID 82535163) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid
PubChem CID82535163
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NCC(O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-9(2-4-11)13(18)8-17-12-5-10(14(19)20)6-16-7-12/h1-7,13,17-18H,8H2,(H,19,20)
InChIKeyFZGBKFQKDQROCR-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid (CID 82535163) is 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NCC(O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FZGBKFQKDQROCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-3-1-9(2-4-11)13(18)8-17-12-5-10(14(19)20)6-16-7-12/h1-7,13,17-18H,8H2,(H,19,20).
What are the key properties of 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid?
5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid has a molecular weight of 292.72 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 82535163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).