5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine

C20H23Cl2NO — CID 57467647

IUPAC5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine
SMILESCOc1cc(-c2ccc(CCl)cc2[C@@H]2CCCC2(C)C)c(Cl)cn1
InChIInChI=1S/C20H23Cl2NO/c1-20(2)8-4-5-17(20)15-9-13(11-21)6-7-14(15)16-10-19(24-3)23-12-18(16)22/h6-7,9-10,12,17H,4-5,8,11H2,1-3H3/t17-/m0/s1
InChIKeyAJHDWEQETBUSGB-KRWDZBQOSA-N
MW364.32 g/mol
LogP6.44
Rot. Bonds4

About 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine

5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine (PubChem CID 57467647) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine
PubChem CID57467647
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC Name5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine
SMILESCOc1cc(-c2ccc(CCl)cc2[C@@H]2CCCC2(C)C)c(Cl)cn1
InChIInChI=1S/C20H23Cl2NO/c1-20(2)8-4-5-17(20)15-9-13(11-21)6-7-14(15)16-10-19(24-3)23-12-18(16)22/h6-7,9-10,12,17H,4-5,8,11H2,1-3H3/t17-/m0/s1
InChIKeyAJHDWEQETBUSGB-KRWDZBQOSA-N
XLogP6.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine?
The IUPAC name of 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine (CID 57467647) is 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine.
What is the SMILES notation for 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine?
The canonical SMILES for 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine is COc1cc(-c2ccc(CCl)cc2[C@@H]2CCCC2(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine?
The InChIKey is AJHDWEQETBUSGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c1-20(2)8-4-5-17(20)15-9-13(11-21)6-7-14(15)16-10-19(24-3)23-12-18(16)22/h6-7,9-10,12,17H,4-5,8,11H2,1-3H3/t17-/m0/s1.
What are the key properties of 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine?
5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine has a molecular weight of 364.32 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(chloromethyl)-2-[(1R)-2,2-dimethylcyclopentyl]phenyl]-2-methoxypyridine is sourced from PubChem (CID 57467647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).