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

C15H9ClF2N2O2 — CID 66888571

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2F)c2cc(F)ccc12
InChIInChI=1S/C15H9ClF2N2O2/c16-9-2-1-8(12(18)5-9)7-20-13-6-10(17)3-4-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22)
InChIKeyNMDASLVQDJZTLC-UHFFFAOYSA-N
MW322.70 g/mol
LogP3.71
Rot. Bonds3

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

1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid (PubChem CID 66888571) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
PubChem CID66888571
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2F)c2cc(F)ccc12
InChIInChI=1S/C15H9ClF2N2O2/c16-9-2-1-8(12(18)5-9)7-20-13-6-10(17)3-4-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22)
InChIKeyNMDASLVQDJZTLC-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-6-methylsulfonylindazole-3-carboxylic acid
CID 91584953
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
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
CID 66888548
1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
CID 66889166
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 58796837
3-[5-chloro-1-[(2,4-difluorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 66888344
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycarbonylindazole-6-carboxylic acid
CID 66888999
1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
CID 71216306
methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
CID 66887230
1-[(4-chloro-2-prop-1-ynylphenyl)methyl]indazole-3-carboxylic acid
CID 11666981

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid (CID 66888571) is 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(Cl)cc2F)c2cc(F)ccc12.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid?
The InChIKey is NMDASLVQDJZTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c16-9-2-1-8(12(18)5-9)7-20-13-6-10(17)3-4-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid?
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid has a molecular weight of 322.70 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid is sourced from PubChem (CID 66888571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).