1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid

C16H11ClF2N2O2 — CID 66871881

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(F)cc2Cl)c2cc(CF)ccc12
InChIInChI=1S/C16H11ClF2N2O2/c17-13-6-11(19)3-2-10(13)8-21-14-5-9(7-18)1-4-12(14)15(20-21)16(22)23/h1-6H,7-8H2,(H,22,23)
InChIKeyDULCUSJJKBTYEO-UHFFFAOYSA-N
MW336.73 g/mol
LogP4.04
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid

1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid (PubChem CID 66871881) has the molecular formula C16H11ClF2N2O2 and a molecular weight of 336.73 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid
PubChem CID66871881
Molecular FormulaC16H11ClF2N2O2
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(F)cc2Cl)c2cc(CF)ccc12
InChIInChI=1S/C16H11ClF2N2O2/c17-13-6-11(19)3-2-10(13)8-21-14-5-9(7-18)1-4-12(14)15(20-21)16(22)23/h1-6H,7-8H2,(H,22,23)
InChIKeyDULCUSJJKBTYEO-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycarbonylindazole-6-carboxylic acid
CID 66888999
methyl 6-amino-1-[(2-chloro-4-fluorophenyl)methyl]indazole-3-carboxylate
CID 69403138
3-[1-[(2,4-difluorophenyl)methyl]-6-(fluoromethyl)indazol-3-yl]prop-2-enoic acid
CID 66888844
6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
CID 11638599
1-[(4-chloro-2-fluorophenyl)methyl]-6-methylsulfonylindazole-3-carboxylic acid
CID 91584953
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxy-3-oxoprop-1-enyl)indazole-6-carboxylic acid
CID 68912255
1-[(2-chloro-4-fluorophenyl)methyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]indazole-6-carboxylic acid
CID 68912253
1-[(4-cyanophenyl)methyl]-5-fluoroindazole-3-carboxylic acid
CID 66857727
1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
CID 71216306
1-[(2-chloro-4-prop-1-ynylphenyl)methyl]indazole-3-carboxylic acid
CID 11602268

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid (CID 66871881) is 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(F)cc2Cl)c2cc(CF)ccc12.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid?
The InChIKey is DULCUSJJKBTYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2O2/c17-13-6-11(19)3-2-10(13)8-21-14-5-9(7-18)1-4-12(14)15(20-21)16(22)23/h1-6H,7-8H2,(H,22,23).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid?
1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid has a molecular weight of 336.73 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid is sourced from PubChem (CID 66871881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).