methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate

C16H11Cl2FN2O2 — CID 11631701

IUPACmethyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(F)ccc12
InChIInChI=1S/C16H11Cl2FN2O2/c1-23-16(22)15-12-5-4-11(19)7-14(12)21(20-15)8-9-2-3-10(17)6-13(9)18/h2-7H,8H2,1H3
InChIKeyRKBRNTVOPMRZGW-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.32
Rot. Bonds3

About methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate

methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate (PubChem CID 11631701) has the molecular formula C16H11Cl2FN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate
PubChem CID11631701
Molecular FormulaC16H11Cl2FN2O2
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC Namemethyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(F)ccc12
InChIInChI=1S/C16H11Cl2FN2O2/c1-23-16(22)15-12-5-4-11(19)7-14(12)21(20-15)8-9-2-3-10(17)6-13(9)18/h2-7H,8H2,1H3
InChIKeyRKBRNTVOPMRZGW-UHFFFAOYSA-N
XLogP4.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate (CID 11631701) is methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(F)ccc12.
What is the InChIKey of methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate?
The InChIKey is RKBRNTVOPMRZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2/c1-23-16(22)15-12-5-4-11(19)7-14(12)21(20-15)8-9-2-3-10(17)6-13(9)18/h2-7H,8H2,1H3.
What are the key properties of methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate?
methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate has a molecular weight of 353.18 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylate is sourced from PubChem (CID 11631701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).