(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone

C15H9BrClFN2O — CID 118215956

IUPAC(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone
SMILESCc1cccc(Cl)c1C(=O)n1nc(Br)c2c(F)cccc21
InChIInChI=1S/C15H9BrClFN2O/c1-8-4-2-5-9(17)12(8)15(21)20-11-7-3-6-10(18)13(11)14(16)19-20/h2-7H,1H3
InChIKeyBVAOTBYUHPLOTO-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.59
Rot. Bonds1

About (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone

(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone (PubChem CID 118215956) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone
PubChem CID118215956
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone
SMILESCc1cccc(Cl)c1C(=O)n1nc(Br)c2c(F)cccc21
InChIInChI=1S/C15H9BrClFN2O/c1-8-4-2-5-9(17)12(8)15(21)20-11-7-3-6-10(18)13(11)14(16)19-20/h2-7H,1H3
InChIKeyBVAOTBYUHPLOTO-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide
CID 160887275
4-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 118215968
methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate
CID 118284024
(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone
CID 118285869
(3-bromo-4-fluoroindazol-1-yl)-[2-(2-chlorocyclopropyl)phenyl]methanone
CID 90042138
(3-bromo-5-methylpyrazolo[4,3-b]pyridin-1-yl)-[2-chloro-6-(trifluoromethyl)phenyl]methanone
CID 90041793
(2-chloro-6-cyclopropylphenyl)-[3-(cyclohexen-1-yl)-4-fluoroindazol-1-yl]methanone
CID 144574981
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 88920218
4-[1-(2-chloro-6-methylbenzoyl)-6-(cyclopropanecarbonyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
CID 118285923
[2-chloro-6-(trifluoromethyl)phenyl]-[4-fluoro-3-(3-fluoro-5-hydroxyphenyl)indazol-1-yl]methanone
CID 141356037
benzotriazol-1-yl-(2-chloro-6-fluorophenyl)methanone
CID 793683
(3S)-1-[1-(2-chloro-6-cyclopropylbenzoyl)-4-fluoroindazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid
CID 129167208

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone (CID 118215956) is (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone is Cc1cccc(Cl)c1C(=O)n1nc(Br)c2c(F)cccc21.
What is the InChIKey of (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone?
The InChIKey is BVAOTBYUHPLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c1-8-4-2-5-9(17)12(8)15(21)20-11-7-3-6-10(18)13(11)14(16)19-20/h2-7H,1H3.
What are the key properties of (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone?
(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone has a molecular weight of 367.61 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone is sourced from PubChem (CID 118215956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).