ethyl formate;3-[(4-fluorophenyl)methyl]pyridine

C15H16FNO2 — CID 174527511

IUPACethyl formate;3-[(4-fluorophenyl)methyl]pyridine
SMILESCCOC=O.Fc1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C12H10FN.C3H6O2/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;1-2-5-3-4/h1-7,9H,8H2;3H,2H2,1H3
InChIKeyJZCDCWGOSVWNIF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.99
Rot. Bonds4

About ethyl formate;3-[(4-fluorophenyl)methyl]pyridine

ethyl formate;3-[(4-fluorophenyl)methyl]pyridine (PubChem CID 174527511) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is ethyl formate;3-[(4-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Nameethyl formate;3-[(4-fluorophenyl)methyl]pyridine
PubChem CID174527511
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Nameethyl formate;3-[(4-fluorophenyl)methyl]pyridine
SMILESCCOC=O.Fc1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C12H10FN.C3H6O2/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;1-2-5-3-4/h1-7,9H,8H2;3H,2H2,1H3
InChIKeyJZCDCWGOSVWNIF-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-benzylpyridine;formic acid
CID 174503454
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
CID 12882176
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
1,3-difluorobenzene;ethyl formate
CID 159397616
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole
CID 67753277
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
CID 113447026
(Z)-2-chloro-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoic acid
CID 88717659
ethyl 3-oxo-2-[4-(pyridin-3-ylmethyl)phenoxy]butanoate
CID 70479044

Frequently Asked Questions

What is the IUPAC name of ethyl formate;3-[(4-fluorophenyl)methyl]pyridine?
The IUPAC name of ethyl formate;3-[(4-fluorophenyl)methyl]pyridine (CID 174527511) is ethyl formate;3-[(4-fluorophenyl)methyl]pyridine.
What is the SMILES notation for ethyl formate;3-[(4-fluorophenyl)methyl]pyridine?
The canonical SMILES for ethyl formate;3-[(4-fluorophenyl)methyl]pyridine is CCOC=O.Fc1ccc(Cc2cccnc2)cc1.
What is the InChIKey of ethyl formate;3-[(4-fluorophenyl)methyl]pyridine?
The InChIKey is JZCDCWGOSVWNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN.C3H6O2/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;1-2-5-3-4/h1-7,9H,8H2;3H,2H2,1H3.
What are the key properties of ethyl formate;3-[(4-fluorophenyl)methyl]pyridine?
ethyl formate;3-[(4-fluorophenyl)methyl]pyridine has a molecular weight of 261.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;3-[(4-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 174527511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).