3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine

C15H16FNO — CID 166726090

IUPAC3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
SMILESCCc1c(OCc2ccccc2)cc(C)nc1F
InChIInChI=1S/C15H16FNO/c1-3-13-14(9-11(2)17-15(13)16)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyXKTZNPPGXLTRDS-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.67
Rot. Bonds4

About 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine

3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine (PubChem CID 166726090) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine.

Molecular Properties

Compound Name3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
PubChem CID166726090
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
SMILESCCc1c(OCc2ccccc2)cc(C)nc1F
InChIInChI=1S/C15H16FNO/c1-3-13-14(9-11(2)17-15(13)16)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyXKTZNPPGXLTRDS-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
CID 22641319
[4-(difluoromethoxy)-6-methyl-2-phenylmethoxy-3-pyridinyl]methanamine
CID 139543711
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
3-(4-methoxyphenyl)-2,6-dimethyl-4-phenylmethoxypyridine
CID 15171436
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline
CID 170368161
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
1,7-dimethyl-5-phenylmethoxy-3,4-dihydro-2H-1,8-naphthyridine
CID 71386000

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine?
The IUPAC name of 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine (CID 166726090) is 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine.
What is the SMILES notation for 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine?
The canonical SMILES for 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine is CCc1c(OCc2ccccc2)cc(C)nc1F.
What is the InChIKey of 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine?
The InChIKey is XKTZNPPGXLTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-3-13-14(9-11(2)17-15(13)16)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine?
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine has a molecular weight of 245.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine is sourced from PubChem (CID 166726090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).