4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile

C14H10FN3 — CID 71114832

IUPAC4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C2=CCCc3[nH]ncc32)cc1F
InChIInChI=1S/C14H10FN3/c15-13-6-9(4-5-10(13)7-16)11-2-1-3-14-12(11)8-17-18-14/h2,4-6,8H,1,3H2,(H,17,18)
InChIKeyJMSUJDBAPCZYGU-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.80
Rot. Bonds1

About 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile

4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile (PubChem CID 71114832) has the molecular formula C14H10FN3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile
PubChem CID71114832
Molecular FormulaC14H10FN3
Molecular Weight239.25 g/mol
Exact Mass239.09
IUPAC Name4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(C2=CCCc3[nH]ncc32)cc1F
InChIInChI=1S/C14H10FN3/c15-13-6-9(4-5-10(13)7-16)11-2-1-3-14-12(11)8-17-18-14/h2,4-6,8H,1,3H2,(H,17,18)
InChIKeyJMSUJDBAPCZYGU-UHFFFAOYSA-N
XLogP2.80
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile?
The IUPAC name of 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile (CID 71114832) is 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile is N#Cc1ccc(C2=CCCc3[nH]ncc32)cc1F.
What is the InChIKey of 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile?
The InChIKey is JMSUJDBAPCZYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3/c15-13-6-9(4-5-10(13)7-16)11-2-1-3-14-12(11)8-17-18-14/h2,4-6,8H,1,3H2,(H,17,18).
What are the key properties of 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile?
4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile has a molecular weight of 239.25 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-1H-indazol-4-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 71114832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).