6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid

C12H11N3O4 — CID 89463371

IUPAC6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCCOC(=O)c1ccn(-c2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H11N3O4/c1-2-19-12(18)9-5-6-15(14-9)10-4-3-8(7-13-10)11(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyQJHFLTDVRRZKMK-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.14
Rot. Bonds4

About 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid

6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 89463371) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID89463371
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCCOC(=O)c1ccn(-c2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C12H11N3O4/c1-2-19-12(18)9-5-6-15(14-9)10-4-3-8(7-13-10)11(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyQJHFLTDVRRZKMK-UHFFFAOYSA-N
XLogP1.14
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate
CID 61176223
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403
ethyl 1-phenylpyrazole-3-carboxylate;5-methylbenzene-1,3-dicarboxylic acid
CID 174407348
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
2-(3-ethoxycarbonylpyrazol-1-yl)-2-methylpropanoic acid
CID 122171661
ethyl 1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 154455563
ethyl 6-[4-(3-phenoxypropyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55579197
ethyl 1-(2-methylbutan-2-yl)pyrazole-3-carboxylate
CID 139319900
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
2-(5-ethoxycarbonyl-2-pyridinyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 67353760
ethyl 6-(4-benzoyl-1,4-diazepan-1-yl)pyridine-3-carboxylate
CID 36730820

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid (CID 89463371) is 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid is CCOC(=O)c1ccn(-c2ccc(C(=O)O)cn2)n1.
What is the InChIKey of 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is QJHFLTDVRRZKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-2-19-12(18)9-5-6-15(14-9)10-4-3-8(7-13-10)11(16)17/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid?
6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 89463371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).