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

C12H11Cl2NO — CID 106690733

IUPAC2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1ccoc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-8-3-2-5-15-11(8)7-10(13)9-4-6-16-12(9)14/h2-6,10H,7H2,1H3
InChIKeyRPIQSAYTJWJCPN-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.16
Rot. Bonds3

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

2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine (PubChem CID 106690733) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
PubChem CID106690733
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
SMILESCc1cccnc1CC(Cl)c1ccoc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-8-3-2-5-15-11(8)7-10(13)9-4-6-16-12(9)14/h2-6,10H,7H2,1H3
InChIKeyRPIQSAYTJWJCPN-UHFFFAOYSA-N
XLogP4.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.16
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-(furan-2-yl)ethyl]-3-methylpyridine
CID 66460598
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
CID 66460202
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
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-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
2-[2-(4-butoxyphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459992
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine (CID 106690733) is 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine is Cc1cccnc1CC(Cl)c1ccoc1Cl.
What is the InChIKey of 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine?
The InChIKey is RPIQSAYTJWJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-8-3-2-5-15-11(8)7-10(13)9-4-6-16-12(9)14/h2-6,10H,7H2,1H3.
What are the key properties of 2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine?
2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine has a molecular weight of 256.13 g/mol, XLogP of 4.16, 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-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine is sourced from PubChem (CID 106690733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).