2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine

C15H11N3O2 — CID 141141769

IUPAC2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
SMILESc1ccc(-c2ccnn2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C15H11N3O2/c1-2-7-16-12(3-1)13-6-8-17-18(13)11-4-5-14-15(9-11)20-10-19-14/h1-9H,10H2
InChIKeySMVNFGNIGGOVMM-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.66
Rot. Bonds2

About 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine

2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine (PubChem CID 141141769) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
PubChem CID141141769
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
SMILESc1ccc(-c2ccnn2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C15H11N3O2/c1-2-7-16-12(3-1)13-6-8-17-18(13)11-4-5-14-15(9-11)20-10-19-14/h1-9H,10H2
InChIKeySMVNFGNIGGOVMM-UHFFFAOYSA-N
XLogP2.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)pyrazole
CID 141141771
2-[2-(4-chlorophenyl)pyrazol-3-yl]pyridine
CID 56956135
1-(1,3-benzodioxol-5-yl)-5-pyridin-2-yltriazole-4-carboxylic acid
CID 53192991
2-methyl-5-(5-pyridin-2-ylpyrazol-1-yl)pyridine
CID 141118091
3-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]-1-phenylpyridazin-4-one
CID 46219190
1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 121004245
2-[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-1,3-thiazole
CID 141141772
4-[[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yltriazol-2-yl]methyl]benzonitrile
CID 142669585
2-(6-methylsulfanyl-1,3-benzodioxol-5-yl)pyridine
CID 135001402
2-[[1-(1,3-benzodioxol-5-yl)imidazol-4-yl]methoxymethyl]pyridine
CID 118342261
4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62824445
N-[3-(5-phenylpyrazol-1-yl)phenyl]-3-pyridin-2-ylaniline
CID 90070716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine (CID 141141769) is 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine is c1ccc(-c2ccnn2-c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine?
The InChIKey is SMVNFGNIGGOVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-7-16-12(3-1)13-6-8-17-18(13)11-4-5-14-15(9-11)20-10-19-14/h1-9H,10H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine?
2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine has a molecular weight of 265.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 141141769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).