2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid

C16H13ClN2O2 — CID 3041821

IUPAC2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)10-19-15-4-2-1-3-13(15)14(18-19)9-16(20)21/h1-8H,9-10H2,(H,20,21)
InChIKeyYRTXTDLMVGDKLI-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.37
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid

2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid (PubChem CID 3041821) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid
PubChem CID3041821
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)10-19-15-4-2-1-3-13(15)14(18-19)9-16(20)21/h1-8H,9-10H2,(H,20,21)
InChIKeyYRTXTDLMVGDKLI-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid (CID 3041821) is 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid is O=C(O)Cc1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid?
The InChIKey is YRTXTDLMVGDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-7-5-11(6-8-12)10-19-15-4-2-1-3-13(15)14(18-19)9-16(20)21/h1-8H,9-10H2,(H,20,21).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid?
2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid has a molecular weight of 300.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]acetic acid is sourced from PubChem (CID 3041821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).