3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole

C16H13N3 — CID 18426085

IUPAC3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole
SMILESc1ccc(-c2[nH]nc3c2CCc2ccccc2-3)nc1
InChIInChI=1S/C16H13N3/c1-2-6-12-11(5-1)8-9-13-15(12)18-19-16(13)14-7-3-4-10-17-14/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMFJAICDHRBQZFC-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.24
Rot. Bonds1

About 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole

3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole (PubChem CID 18426085) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole.

Molecular Properties

Compound Name3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole
PubChem CID18426085
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole
SMILESc1ccc(-c2[nH]nc3c2CCc2ccccc2-3)nc1
InChIInChI=1S/C16H13N3/c1-2-6-12-11(5-1)8-9-13-15(12)18-19-16(13)14-7-3-4-10-17-14/h1-7,10H,8-9H2,(H,18,19)
InChIKeyMFJAICDHRBQZFC-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole?
The IUPAC name of 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole (CID 18426085) is 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole.
What is the SMILES notation for 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole?
The canonical SMILES for 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole is c1ccc(-c2[nH]nc3c2CCc2ccccc2-3)nc1.
What is the InChIKey of 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole?
The InChIKey is MFJAICDHRBQZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-6-12-11(5-1)8-9-13-15(12)18-19-16(13)14-7-3-4-10-17-14/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole?
3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole has a molecular weight of 247.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-4,5-dihydro-2H-benzo[g]indazole is sourced from PubChem (CID 18426085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).