3-[2-(5-methylfuran-3-yl)ethyl]pyridine

C12H13NO — CID 170375827

IUPAC3-[2-(5-methylfuran-3-yl)ethyl]pyridine
SMILESCc1cc(CCc2cccnc2)co1
InChIInChI=1S/C12H13NO/c1-10-7-12(9-14-10)5-4-11-3-2-6-13-8-11/h2-3,6-9H,4-5H2,1H3
InChIKeyOCDLWLKKBMFLRQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.77
Rot. Bonds3

About 3-[2-(5-methylfuran-3-yl)ethyl]pyridine

3-[2-(5-methylfuran-3-yl)ethyl]pyridine (PubChem CID 170375827) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[2-(5-methylfuran-3-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-[2-(5-methylfuran-3-yl)ethyl]pyridine
PubChem CID170375827
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-[2-(5-methylfuran-3-yl)ethyl]pyridine
SMILESCc1cc(CCc2cccnc2)co1
InChIInChI=1S/C12H13NO/c1-10-7-12(9-14-10)5-4-11-3-2-6-13-8-11/h2-3,6-9H,4-5H2,1H3
InChIKeyOCDLWLKKBMFLRQ-UHFFFAOYSA-N
XLogP2.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 170188044
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
3-ethylpyridine
CID 10823
argon;2-pyridin-3-ylethanol
CID 159015973
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
trimethoxy(2-pyridin-3-ylethyl)silane
CID 59906767
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine
CID 164954543
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methylfuran-3-yl)ethyl]pyridine?
The IUPAC name of 3-[2-(5-methylfuran-3-yl)ethyl]pyridine (CID 170375827) is 3-[2-(5-methylfuran-3-yl)ethyl]pyridine.
What is the SMILES notation for 3-[2-(5-methylfuran-3-yl)ethyl]pyridine?
The canonical SMILES for 3-[2-(5-methylfuran-3-yl)ethyl]pyridine is Cc1cc(CCc2cccnc2)co1.
What is the InChIKey of 3-[2-(5-methylfuran-3-yl)ethyl]pyridine?
The InChIKey is OCDLWLKKBMFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-10-7-12(9-14-10)5-4-11-3-2-6-13-8-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 3-[2-(5-methylfuran-3-yl)ethyl]pyridine?
3-[2-(5-methylfuran-3-yl)ethyl]pyridine has a molecular weight of 187.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methylfuran-3-yl)ethyl]pyridine is sourced from PubChem (CID 170375827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).