7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine

C19H19Cl2N — CID 3085126

IUPAC7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
SMILESCN1CCC2C(C1)c1ccc(Cl)cc1C2c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N/c1-22-9-8-16-18(11-22)15-7-6-14(21)10-17(15)19(16)12-2-4-13(20)5-3-12/h2-7,10,16,18-19H,8-9,11H2,1H3
InChIKeyCYNOIDSFCNRVHZ-UHFFFAOYSA-N
MW332.27 g/mol
LogP5.17
Rot. Bonds1

About 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine

7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine (PubChem CID 3085126) has the molecular formula C19H19Cl2N and a molecular weight of 332.27 g/mol. Its IUPAC name is 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine.

Molecular Properties

Compound Name7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
PubChem CID3085126
Molecular FormulaC19H19Cl2N
Molecular Weight332.27 g/mol
Exact Mass331.09
IUPAC Name7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine
SMILESCN1CCC2C(C1)c1ccc(Cl)cc1C2c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2N/c1-22-9-8-16-18(11-22)15-7-6-14(21)10-17(15)19(16)12-2-4-13(20)5-3-12/h2-7,10,16,18-19H,8-9,11H2,1H3
InChIKeyCYNOIDSFCNRVHZ-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
The IUPAC name of 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine (CID 3085126) is 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine.
What is the SMILES notation for 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
The canonical SMILES for 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine is CN1CCC2C(C1)c1ccc(Cl)cc1C2c1ccc(Cl)cc1.
What is the InChIKey of 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
The InChIKey is CYNOIDSFCNRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N/c1-22-9-8-16-18(11-22)15-7-6-14(21)10-17(15)19(16)12-2-4-13(20)5-3-12/h2-7,10,16,18-19H,8-9,11H2,1H3.
What are the key properties of 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine?
7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine has a molecular weight of 332.27 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chlorophenyl)-2-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridine is sourced from PubChem (CID 3085126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).