2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine

C15H17FN2 — CID 138705967

IUPAC2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine
SMILESCCc1ncc(Cc2cccnc2CC)cc1F
InChIInChI=1S/C15H17FN2/c1-3-14-12(6-5-7-17-14)8-11-9-13(16)15(4-2)18-10-11/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyXHTHLXOTQIWIGG-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.33
Rot. Bonds4

About 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine

2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine (PubChem CID 138705967) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine.

Molecular Properties

Compound Name2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine
PubChem CID138705967
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine
SMILESCCc1ncc(Cc2cccnc2CC)cc1F
InChIInChI=1S/C15H17FN2/c1-3-14-12(6-5-7-17-14)8-11-9-13(16)15(4-2)18-10-11/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyXHTHLXOTQIWIGG-UHFFFAOYSA-N
XLogP3.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diethylpyridine
CID 14747123
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
5-benzyl-2,3-diethylpyridine
CID 59158252
3-(chloromethyl)-2-ethylpyridine;hydrochloride
CID 142546922
2-ethyl-3-(furan-2-ylmethyl)pyridine
CID 173468661
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
2-ethyl-3-fluoro-5-(methoxymethoxymethyl)pyridine;(6-ethyl-5-fluoro-3-pyridinyl)methanol
CID 159259193
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
CID 54192940
2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
CID 157436995
3-ethyl-2-(iodomethyl)pyridine
CID 166542162
5-ethyl-3-fluoro-2-heptylpyridine
CID 71032400
N-[2-(2-ethyl-3-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 155163873

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine?
The IUPAC name of 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine (CID 138705967) is 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine.
What is the SMILES notation for 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine?
The canonical SMILES for 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine is CCc1ncc(Cc2cccnc2CC)cc1F.
What is the InChIKey of 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine?
The InChIKey is XHTHLXOTQIWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-3-14-12(6-5-7-17-14)8-11-9-13(16)15(4-2)18-10-11/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine?
2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine has a molecular weight of 244.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine is sourced from PubChem (CID 138705967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).