5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride

C15H14ClNO5 — CID 131710706

IUPAC5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cnc(-c2ccccc2)c(O)c1C(=O)O.Cl
InChIInChI=1S/C15H13NO5.ClH/c1-2-21-15(20)10-8-16-12(9-6-4-3-5-7-9)13(17)11(10)14(18)19;/h3-8,17H,2H2,1H3,(H,18,19);1H
InChIKeyTVRNIBTVUMNZBG-UHFFFAOYSA-N
MW323.73 g/mol
LogP2.75
Rot. Bonds4

About 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride

5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride (PubChem CID 131710706) has the molecular formula C15H14ClNO5 and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
PubChem CID131710706
Molecular FormulaC15H14ClNO5
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cnc(-c2ccccc2)c(O)c1C(=O)O.Cl
InChIInChI=1S/C15H13NO5.ClH/c1-2-21-15(20)10-8-16-12(9-6-4-3-5-7-9)13(17)11(10)14(18)19;/h3-8,17H,2H2,1H3,(H,18,19);1H
InChIKeyTVRNIBTVUMNZBG-UHFFFAOYSA-N
XLogP2.75
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate
CID 21441541
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
3-acetyl-5-ethoxycarbonyl-2-methylpyridine-4-carboxylic acid
CID 24973251
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid
CID 70362739
ethyl 2-[benzyl(methyl)amino]-4-phenylpyrimidine-5-carboxylate
CID 68644845
ethyl 5-nitro-6-phenyl-4-(propan-2-ylamino)pyridine-3-carboxylate
CID 59822652

Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride (CID 131710706) is 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride is CCOC(=O)c1cnc(-c2ccccc2)c(O)c1C(=O)O.Cl.
What is the InChIKey of 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride?
The InChIKey is TVRNIBTVUMNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5.ClH/c1-2-21-15(20)10-8-16-12(9-6-4-3-5-7-9)13(17)11(10)14(18)19;/h3-8,17H,2H2,1H3,(H,18,19);1H.
What are the key properties of 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride?
5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride has a molecular weight of 323.73 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyl-3-hydroxy-2-phenylpyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 131710706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).