2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid

C16H13N3O2 — CID 155409406

IUPAC2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid
SMILESC=CCc1ccc2nn(-c3ncccc3C(=O)O)cc2c1
InChIInChI=1S/C16H13N3O2/c1-2-4-11-6-7-14-12(9-11)10-19(18-14)15-13(16(20)21)5-3-8-17-15/h2-3,5-10H,1,4H2,(H,20,21)
InChIKeyHLMYYZXXYCSHPP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.85
Rot. Bonds4

About 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid

2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 155409406) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid
PubChem CID155409406
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid
SMILESC=CCc1ccc2nn(-c3ncccc3C(=O)O)cc2c1
InChIInChI=1S/C16H13N3O2/c1-2-4-11-6-7-14-12(9-11)10-19(18-14)15-13(16(20)21)5-3-8-17-15/h2-3,5-10H,1,4H2,(H,20,21)
InChIKeyHLMYYZXXYCSHPP-UHFFFAOYSA-N
XLogP2.85
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 84785993
3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid
CID 23558379
2-(3-nitropyrazol-1-yl)pyridine-3-carboxylic acid
CID 61177578
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 97124499
2-(4-carbamoylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 64782904
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide
CID 141244857
2-[2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridine-3-carboxylic acid
CID 66876216
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid
CID 114599482
5-amino-3-prop-2-enylquinoline-6-carboxylic acid
CID 67934082

Frequently Asked Questions

What is the IUPAC name of 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid (CID 155409406) is 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid is C=CCc1ccc2nn(-c3ncccc3C(=O)O)cc2c1.
What is the InChIKey of 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is HLMYYZXXYCSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-2-4-11-6-7-14-12(9-11)10-19(18-14)15-13(16(20)21)5-3-8-17-15/h2-3,5-10H,1,4H2,(H,20,21).
What are the key properties of 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid?
2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-prop-2-enylindazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155409406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).