1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid

C16H12Cl2N2O3 — CID 11696000

IUPAC1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(CO)ccc12
InChIInChI=1S/C16H12Cl2N2O3/c17-11-3-2-10(13(18)6-11)7-20-14-5-9(8-21)1-4-12(14)15(19-20)16(22)23/h1-6,21H,7-8H2,(H,22,23)
InChIKeyYSFMAPWCZWPONV-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.58
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid (PubChem CID 11696000) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
PubChem CID11696000
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(CO)ccc12
InChIInChI=1S/C16H12Cl2N2O3/c17-11-3-2-10(13(18)6-11)7-20-14-5-9(8-21)1-4-12(14)15(19-20)16(22)23/h1-6,21H,7-8H2,(H,22,23)
InChIKeyYSFMAPWCZWPONV-UHFFFAOYSA-N
XLogP3.58
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid
CID 66871881
1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
CID 71216306
methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
CID 66888548
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
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]-5-(trifluoromethoxy)indazole-3-carboxylic acid
CID 66888757
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
1-[(2,4-dichlorophenyl)methyl]-6-methylindazole-3-carboxylic acid;ethyl (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 161435268
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
1-[(4-chloro-2-fluorophenyl)methyl]-6-methylsulfonylindazole-3-carboxylic acid
CID 91584953

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid (CID 11696000) is 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(CO)ccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid?
The InChIKey is YSFMAPWCZWPONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-11-3-2-10(13(18)6-11)7-20-14-5-9(8-21)1-4-12(14)15(19-20)16(22)23/h1-6,21H,7-8H2,(H,22,23).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid has a molecular weight of 351.19 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid is sourced from PubChem (CID 11696000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).