(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone

C15H10ClIN2O — CID 118285869

IUPAC(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone
SMILESCc1cccc(Cl)c1C(=O)n1nc(I)c2ccccc21
InChIInChI=1S/C15H10ClIN2O/c1-9-5-4-7-11(16)13(9)15(20)19-12-8-3-2-6-10(12)14(17)18-19/h2-8H,1H3
InChIKeyFLQZXIGGTDEGPU-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.29
Rot. Bonds1

About (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone

(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone (PubChem CID 118285869) has the molecular formula C15H10ClIN2O and a molecular weight of 396.62 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone
PubChem CID118285869
Molecular FormulaC15H10ClIN2O
Molecular Weight396.62 g/mol
Exact Mass395.95
IUPAC Name(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone
SMILESCc1cccc(Cl)c1C(=O)n1nc(I)c2ccccc21
InChIInChI=1S/C15H10ClIN2O/c1-9-5-4-7-11(16)13(9)15(20)19-12-8-3-2-6-10(12)14(17)18-19/h2-8H,1H3
InChIKeyFLQZXIGGTDEGPU-UHFFFAOYSA-N
XLogP4.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide
CID 118285958
(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone
CID 118215956
[2-chloro-6-(trifluoromethyl)phenyl]-(3-methylindazol-1-yl)methanone;ethane
CID 144574802
3-iodo-1-[2-methyl-6-(trifluoromethyl)benzoyl]indazole-6-carboxylic acid
CID 148605963
methyl 4-[1-(2-chloro-6-methylbenzoyl)-6-ethynylindazol-3-yl]benzoate
CID 118285941
1-(4-chloro-3-iodoindazol-1-yl)ethanone
CID 69094041
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
4-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 118215968
1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-iodopyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 90039656
methyl 4-[1-(2-chloro-6-methylbenzoyl)-6-(dimethylcarbamoyl)indazol-3-yl]cyclohex-3-ene-1-carboxylate
CID 118215964
[2-chloro-6-(trifluoromethyl)phenyl]-[3-[3-(hydroxymethyl)phenyl]indazol-1-yl]methanone
CID 141356028
methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate
CID 118284024

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone?
The IUPAC name of (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone (CID 118285869) is (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone is Cc1cccc(Cl)c1C(=O)n1nc(I)c2ccccc21.
What is the InChIKey of (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone?
The InChIKey is FLQZXIGGTDEGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O/c1-9-5-4-7-11(16)13(9)15(20)19-12-8-3-2-6-10(12)14(17)18-19/h2-8H,1H3.
What are the key properties of (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone?
(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone has a molecular weight of 396.62 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone is sourced from PubChem (CID 118285869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).