methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate

C9H6ClFN2O2 — CID 155161685

IUPACmethyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2[nH]ncc2c1F
InChIInChI=1S/C9H6ClFN2O2/c1-15-9(14)4-2-6(10)8-5(7(4)11)3-12-13-8/h2-3H,1H3,(H,12,13)
InChIKeyGOURNYZMUSIGLK-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.14
Rot. Bonds1

About methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate

methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate (PubChem CID 155161685) has the molecular formula C9H6ClFN2O2 and a molecular weight of 228.61 g/mol. Its IUPAC name is methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate
PubChem CID155161685
Molecular FormulaC9H6ClFN2O2
Molecular Weight228.61 g/mol
Exact Mass228.01
IUPAC Namemethyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2[nH]ncc2c1F
InChIInChI=1S/C9H6ClFN2O2/c1-15-9(14)4-2-6(10)8-5(7(4)11)3-12-13-8/h2-3H,1H3,(H,12,13)
InChIKeyGOURNYZMUSIGLK-UHFFFAOYSA-N
XLogP2.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-5-fluoro-1H-indazole-7-carboxylate
CID 167501849
methyl 3-chloro-2,5-difluorobenzoate
CID 79018120
methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 123135276
CID 176998352
CID 176998352
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
CID 18363150
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 4-amino-5-bromo-1H-indazole-6-carboxylate
CID 142345968
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
methyl 5-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164892417

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate?
The IUPAC name of methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate (CID 155161685) is methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate.
What is the SMILES notation for methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate?
The canonical SMILES for methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate is COC(=O)c1cc(Cl)c2[nH]ncc2c1F.
What is the InChIKey of methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate?
The InChIKey is GOURNYZMUSIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2/c1-15-9(14)4-2-6(10)8-5(7(4)11)3-12-13-8/h2-3H,1H3,(H,12,13).
What are the key properties of methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate?
methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate has a molecular weight of 228.61 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-4-fluoro-1H-indazole-5-carboxylate is sourced from PubChem (CID 155161685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).