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'}

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Related Compounds

[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol;methyl 3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate
CID 161390570
2-[(1R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 59590774
2-[(1R)-7-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59590754
4-[3-[[3-(2,2-dimethylcyclopentyl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-5-fluorophenyl]butanoic acid
CID 90764964
(1'R,5R)-3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]spiro[6,7-dihydrocyclopenta[c]pyridine-5,2'-cyclopropane]-1'-carboxylic acid
CID 90655863
5-[[3-(2,2-dimethylcyclopentyl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-4-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 77445170
(1'S,3S)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-4-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 70901392
(1'S,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carbaldehyde
CID 88914972
5-[[3-(2,2-dimethylcyclopentyl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]-4,7-difluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 75112832
4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1R)-2,2-dimethylcyclopentyl]benzene;4-(chloromethyl)-1-[3-(difluoromethoxy)phenyl]-2-[(1S)-2,2-dimethylcyclopentyl]benzene;[4-[3-(difluoromethoxy)phenyl]-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methanol;[4-[3-(difluoromethoxy)phenyl]-3-[(1S)-2,2-dimethylcyclopentyl]phenyl]methanol
CID 159761595
5-[[4-(3-chloro-6-methoxy-2-pyridinyl)-3-[(1R)-2,2-dimethylcyclopentyl]phenyl]methoxy]-4-fluorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 67360493
[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methylphenyl)phenyl]methanol
CID 123527100

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).