methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate

C17H14ClFN2O3 — CID 66888548

IUPACmethyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2F)c2cc(CO)ccc12
InChIInChI=1S/C17H14ClFN2O3/c1-24-17(23)16-13-5-2-10(9-22)6-15(13)21(20-16)8-11-3-4-12(18)7-14(11)19/h2-7,22H,8-9H2,1H3
InChIKeyZYZLNYUFJJAETJ-UHFFFAOYSA-N
MW348.76 g/mol
LogP3.16
Rot. Bonds4

About methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate

methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate (PubChem CID 66888548) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
PubChem CID66888548
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Namemethyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2F)c2cc(CO)ccc12
InChIInChI=1S/C17H14ClFN2O3/c1-24-17(23)16-13-5-2-10(9-22)6-15(13)21(20-16)8-11-3-4-12(18)7-14(11)19/h2-7,22H,8-9H2,1H3
InChIKeyZYZLNYUFJJAETJ-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
CID 66887230
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
1-[(4-chloro-2-fluorophenyl)methyl]-6-methylsulfonylindazole-3-carboxylic acid
CID 91584953
methyl 3-[1-[(4-chloro-2-fluorophenyl)methyl]-6-(fluoromethyl)indazol-3-yl]prop-2-enoate
CID 66888907
methyl 6-amino-1-[(2-chloro-4-fluorophenyl)methyl]indazole-3-carboxylate
CID 69403138
1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
CID 66889166
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycarbonylindazole-6-carboxylic acid
CID 66888999
methyl 3-[1-[(2,4-difluorophenyl)methyl]-6-(hydroxymethyl)indazol-3-yl]prop-2-enoate
CID 66889213
6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
CID 11638599
1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid
CID 66871881

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate (CID 66888548) is methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(Cl)cc2F)c2cc(CO)ccc12.
What is the InChIKey of methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate?
The InChIKey is ZYZLNYUFJJAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c1-24-17(23)16-13-5-2-10(9-22)6-15(13)21(20-16)8-11-3-4-12(18)7-14(11)19/h2-7,22H,8-9H2,1H3.
What are the key properties of methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate?
methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate has a molecular weight of 348.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate is sourced from PubChem (CID 66888548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).