(7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone

C14H8BrClN2O — CID 70874197

IUPAC(7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1[nH]nc2c(Br)cccc12
InChIInChI=1S/C14H8BrClN2O/c15-11-3-1-2-10-12(11)17-18-13(10)14(19)8-4-6-9(16)7-5-8/h1-7H,(H,17,18)
InChIKeyFHQXYKPECCTURJ-UHFFFAOYSA-N
MW335.59 g/mol
LogP4.21
Rot. Bonds2

About (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone

(7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone (PubChem CID 70874197) has the molecular formula C14H8BrClN2O and a molecular weight of 335.59 g/mol. Its IUPAC name is (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone
PubChem CID70874197
Molecular FormulaC14H8BrClN2O
Molecular Weight335.59 g/mol
Exact Mass333.95
IUPAC Name(7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1[nH]nc2c(Br)cccc12
InChIInChI=1S/C14H8BrClN2O/c15-11-3-1-2-10-12(11)17-18-13(10)14(19)8-4-6-9(16)7-5-8/h1-7H,(H,17,18)
InChIKeyFHQXYKPECCTURJ-UHFFFAOYSA-N
XLogP4.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone (CID 70874197) is (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1[nH]nc2c(Br)cccc12.
What is the InChIKey of (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is FHQXYKPECCTURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-11-3-1-2-10-12(11)17-18-13(10)14(19)8-4-6-9(16)7-5-8/h1-7H,(H,17,18).
What are the key properties of (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone?
(7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone has a molecular weight of 335.59 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2H-indazol-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 70874197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).