1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid

C16H9Cl2F3N2O3 — CID 66888757

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C16H9Cl2F3N2O3/c17-9-2-1-8(12(18)5-9)7-23-13-4-3-10(26-16(19,20)21)6-11(13)14(22-23)15(24)25/h1-6H,7H2,(H,24,25)
InChIKeyYTNHRMADTDMWGD-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.99
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid (PubChem CID 66888757) has the molecular formula C16H9Cl2F3N2O3 and a molecular weight of 405.16 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid
PubChem CID66888757
Molecular FormulaC16H9Cl2F3N2O3
Molecular Weight405.16 g/mol
Exact Mass403.99
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C16H9Cl2F3N2O3/c17-9-2-1-8(12(18)5-9)7-23-13-4-3-10(26-16(19,20)21)6-11(13)14(22-23)15(24)25/h1-6H,7H2,(H,24,25)
InChIKeyYTNHRMADTDMWGD-UHFFFAOYSA-N
XLogP4.99
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
CID 71216306
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 58796837
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
1-[(2,4-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 11638366
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
2-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]acetic acid
CID 11711124
4-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethoxy)indazol-3-yl]butanoic acid
CID 69403212
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)
CID 53255360
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid (CID 66888757) is 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid?
The InChIKey is YTNHRMADTDMWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2O3/c17-9-2-1-8(12(18)5-9)7-23-13-4-3-10(26-16(19,20)21)6-11(13)14(22-23)15(24)25/h1-6H,7H2,(H,24,25).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid has a molecular weight of 405.16 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid is sourced from PubChem (CID 66888757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).