5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane

C14H14ClNO4 — CID 142369382

IUPAC5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ncc(-c2cc(Cl)ccc2O)cc1O
InChIInChI=1S/C12H8ClNO4.C2H6/c13-7-1-2-9(15)8(4-7)6-3-10(16)11(12(17)18)14-5-6;1-2/h1-5,15-16H,(H,17,18);1-2H3
InChIKeyNHCKWEDCSKKYDJ-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.54
Rot. Bonds2

About 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane

5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane (PubChem CID 142369382) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
PubChem CID142369382
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ncc(-c2cc(Cl)ccc2O)cc1O
InChIInChI=1S/C12H8ClNO4.C2H6/c13-7-1-2-9(15)8(4-7)6-3-10(16)11(12(17)18)14-5-6;1-2/h1-5,15-16H,(H,17,18);1-2H3
InChIKeyNHCKWEDCSKKYDJ-UHFFFAOYSA-N
XLogP3.54
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane?
The IUPAC name of 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane (CID 142369382) is 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane?
The canonical SMILES for 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane is CC.O=C(O)c1ncc(-c2cc(Cl)ccc2O)cc1O.
What is the InChIKey of 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane?
The InChIKey is NHCKWEDCSKKYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4.C2H6/c13-7-1-2-9(15)8(4-7)6-3-10(16)11(12(17)18)14-5-6;1-2/h1-5,15-16H,(H,17,18);1-2H3.
What are the key properties of 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane?
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane has a molecular weight of 295.72 g/mol, XLogP of 3.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 142369382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).