2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine

C12H12ClNO — CID 66460598

IUPAC2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1ccco1
InChIInChI=1S/C12H12ClNO/c1-9-4-2-6-14-11(9)8-10(13)12-5-3-7-15-12/h2-7,10H,8H2,1H3
InChIKeySBVMUTIRKYVKCJ-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.51
Rot. Bonds3

About 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine

2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine (PubChem CID 66460598) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
PubChem CID66460598
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1ccco1
InChIInChI=1S/C12H12ClNO/c1-9-4-2-6-14-11(9)8-10(13)12-5-3-7-15-12/h2-7,10H,8H2,1H3
InChIKeySBVMUTIRKYVKCJ-UHFFFAOYSA-N
XLogP3.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.51
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

2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
CID 106690733
N-[1-(furan-2-yl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66446112
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200
2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
CID 66460202
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
2-[2-(4-butoxyphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459992
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-(furan-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448619
1-(furan-2-yl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 63949984

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine (CID 66460598) is 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Cl)c1ccco1.
What is the InChIKey of 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine?
The InChIKey is SBVMUTIRKYVKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-9-4-2-6-14-11(9)8-10(13)12-5-3-7-15-12/h2-7,10H,8H2,1H3.
What are the key properties of 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine?
2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine has a molecular weight of 221.69 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66460598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).