5-chloro-3-(3-chlorophenyl)-1-methylindazole

C14H10Cl2N2 — CID 166430746

IUPAC5-chloro-3-(3-chlorophenyl)-1-methylindazole
SMILESCn1nc(-c2cccc(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C14H10Cl2N2/c1-18-13-6-5-11(16)8-12(13)14(17-18)9-3-2-4-10(15)7-9/h2-8H,1H3
InChIKeyGYIXJFCPWCFYGR-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.55
Rot. Bonds1

About 5-chloro-3-(3-chlorophenyl)-1-methylindazole

5-chloro-3-(3-chlorophenyl)-1-methylindazole (PubChem CID 166430746) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5-chloro-3-(3-chlorophenyl)-1-methylindazole.

Molecular Properties

Compound Name5-chloro-3-(3-chlorophenyl)-1-methylindazole
PubChem CID166430746
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name5-chloro-3-(3-chlorophenyl)-1-methylindazole
SMILESCn1nc(-c2cccc(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C14H10Cl2N2/c1-18-13-6-5-11(16)8-12(13)14(17-18)9-3-2-4-10(15)7-9/h2-8H,1H3
InChIKeyGYIXJFCPWCFYGR-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-chlorophenyl)-1-methylindazole?
The IUPAC name of 5-chloro-3-(3-chlorophenyl)-1-methylindazole (CID 166430746) is 5-chloro-3-(3-chlorophenyl)-1-methylindazole.
What is the SMILES notation for 5-chloro-3-(3-chlorophenyl)-1-methylindazole?
The canonical SMILES for 5-chloro-3-(3-chlorophenyl)-1-methylindazole is Cn1nc(-c2cccc(Cl)c2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(3-chlorophenyl)-1-methylindazole?
The InChIKey is GYIXJFCPWCFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c1-18-13-6-5-11(16)8-12(13)14(17-18)9-3-2-4-10(15)7-9/h2-8H,1H3.
What are the key properties of 5-chloro-3-(3-chlorophenyl)-1-methylindazole?
5-chloro-3-(3-chlorophenyl)-1-methylindazole has a molecular weight of 277.15 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chlorophenyl)-1-methylindazole is sourced from PubChem (CID 166430746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).