1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide

C16H12ClIN4O2 — CID 118285958

IUPAC1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide
SMILESCc1cccc(Cl)c1C(=O)n1nc(I)c2ccc(C(=O)NN)cc21
InChIInChI=1S/C16H12ClIN4O2/c1-8-3-2-4-11(17)13(8)16(24)22-12-7-9(15(23)20-19)5-6-10(12)14(18)21-22/h2-7H,19H2,1H3,(H,20,23)
InChIKeyRNVKZWCBOQBCIM-UHFFFAOYSA-N
MW454.66 g/mol
LogP2.89
Rot. Bonds2

About 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide

1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide (PubChem CID 118285958) has the molecular formula C16H12ClIN4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide.

Molecular Properties

Compound Name1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide
PubChem CID118285958
Molecular FormulaC16H12ClIN4O2
Molecular Weight454.66 g/mol
Exact Mass453.97
IUPAC Name1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide
SMILESCc1cccc(Cl)c1C(=O)n1nc(I)c2ccc(C(=O)NN)cc21
InChIInChI=1S/C16H12ClIN4O2/c1-8-3-2-4-11(17)13(8)16(24)22-12-7-9(15(23)20-19)5-6-10(12)14(18)21-22/h2-7H,19H2,1H3,(H,20,23)
InChIKeyRNVKZWCBOQBCIM-UHFFFAOYSA-N
XLogP2.89
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-methylphenyl)-(3-iodoindazol-1-yl)methanone
CID 118285869
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
3-iodo-4-methylbenzohydrazide
CID 59732500
methyl 4-[1-(2-chloro-6-methylbenzoyl)-6-(dimethylcarbamoyl)indazol-3-yl]cyclohex-3-ene-1-carboxylate
CID 118215964
(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone
CID 118215956
methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate
CID 123804956
4-[1-(2-chloro-6-methylbenzoyl)-6-(3,3-difluoroazetidine-1-carbonyl)indazol-3-yl]cyclohex-3-ene-1-carboxylic acid
CID 118215988
methyl 4-[1-(2-chloro-6-methylbenzoyl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)indazol-3-yl]-3-fluorobenzoate
CID 118285943
9-acetylcarbazole-3,6-dicarbohydrazide
CID 174724830
1-[2-chloro-6-(trifluoromethyl)benzoyl]-3-iodopyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 90039656
1,3-dimethylindole-5-carbohydrazide
CID 169299009

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide?
The IUPAC name of 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide (CID 118285958) is 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide.
What is the SMILES notation for 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide?
The canonical SMILES for 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide is Cc1cccc(Cl)c1C(=O)n1nc(I)c2ccc(C(=O)NN)cc21.
What is the InChIKey of 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide?
The InChIKey is RNVKZWCBOQBCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN4O2/c1-8-3-2-4-11(17)13(8)16(24)22-12-7-9(15(23)20-19)5-6-10(12)14(18)21-22/h2-7H,19H2,1H3,(H,20,23).
What are the key properties of 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide?
1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide has a molecular weight of 454.66 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide is sourced from PubChem (CID 118285958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).