3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine

C16H17Cl2NO — CID 66048175

IUPAC3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
SMILESCOc1ccccc1CC(CCl)Cc1ccncc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-20-16-5-3-2-4-14(16)9-12(10-17)8-13-6-7-19-11-15(13)18/h2-7,11-12H,8-10H2,1H3
InChIKeyNAWXFIZHBINWQK-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.38
Rot. Bonds6

About 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine

3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine (PubChem CID 66048175) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
PubChem CID66048175
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
SMILESCOc1ccccc1CC(CCl)Cc1ccncc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-20-16-5-3-2-4-14(16)9-12(10-17)8-13-6-7-19-11-15(13)18/h2-7,11-12H,8-10H2,1H3
InChIKeyNAWXFIZHBINWQK-UHFFFAOYSA-N
XLogP4.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.38
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

[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105205014
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine
CID 66034144
1-[2-(chloromethyl)pentyl]-2-methoxybenzene
CID 66034984
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
CID 66033709
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
1-[2-(chloromethyl)-3-ethoxypropyl]-2-methoxybenzene
CID 103985134
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]furan
CID 83182238
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-methylpyrazole
CID 82871632
4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
CID 105067487
2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
CID 115984879
2-(2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66272470

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine?
The IUPAC name of 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine (CID 66048175) is 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine is COc1ccccc1CC(CCl)Cc1ccncc1Cl.
What is the InChIKey of 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine?
The InChIKey is NAWXFIZHBINWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-20-16-5-3-2-4-14(16)9-12(10-17)8-13-6-7-19-11-15(13)18/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine?
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine has a molecular weight of 310.22 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine is sourced from PubChem (CID 66048175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).