4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine

C12H12ClNOS — CID 81140116

IUPAC4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine
SMILESCOc1ccsc1C(Cl)Cc1ccncc1
InChIInChI=1S/C12H12ClNOS/c1-15-11-4-7-16-12(11)10(13)8-9-2-5-14-6-3-9/h2-7,10H,8H2,1H3
InChIKeyBGGDZAVLVVYWPQ-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.67
Rot. Bonds4

About 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine

4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine (PubChem CID 81140116) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine
PubChem CID81140116
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine
SMILESCOc1ccsc1C(Cl)Cc1ccncc1
InChIInChI=1S/C12H12ClNOS/c1-15-11-4-7-16-12(11)10(13)8-9-2-5-14-6-3-9/h2-7,10H,8H2,1H3
InChIKeyBGGDZAVLVVYWPQ-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine
CID 81140592
4-[2-(3-bromothiophen-2-yl)-2-chloroethyl]pyridine
CID 66460593
2-[1-chloro-2-(3,4-difluorophenyl)ethyl]-3-methoxythiophene
CID 81129991
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-3-ethylthiophene
CID 79974959
[2-(3-chloro-4-pyridinyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105314849
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
[2-(4-iodophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105310401
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-3-methoxythiophene
CID 81123904
4-(2-chloro-2-thiophen-3-ylethyl)pyridine
CID 66461794
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-3-methoxythiophene
CID 81129753
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
The IUPAC name of 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine (CID 81140116) is 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine is COc1ccsc1C(Cl)Cc1ccncc1.
What is the InChIKey of 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
The InChIKey is BGGDZAVLVVYWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-15-11-4-7-16-12(11)10(13)8-9-2-5-14-6-3-9/h2-7,10H,8H2,1H3.
What are the key properties of 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine?
4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine has a molecular weight of 253.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine is sourced from PubChem (CID 81140116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).