4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine

C14H14FNO2 — CID 174876560

IUPAC4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine
SMILESCOC(OC)c1ccnc(-c2ccccc2F)c1
InChIInChI=1S/C14H14FNO2/c1-17-14(18-2)10-7-8-16-13(9-10)11-5-3-4-6-12(11)15/h3-9,14H,1-2H3
InChIKeyNXMOWBMHPGBALG-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.18
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine

4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine (PubChem CID 174876560) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine
PubChem CID174876560
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine
SMILESCOC(OC)c1ccnc(-c2ccccc2F)c1
InChIInChI=1S/C14H14FNO2/c1-17-14(18-2)10-7-8-16-13(9-10)11-5-3-4-6-12(11)15/h3-9,14H,1-2H3
InChIKeyNXMOWBMHPGBALG-UHFFFAOYSA-N
XLogP3.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine?
The IUPAC name of 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine (CID 174876560) is 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine is COC(OC)c1ccnc(-c2ccccc2F)c1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine?
The InChIKey is NXMOWBMHPGBALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-14(18-2)10-7-8-16-13(9-10)11-5-3-4-6-12(11)15/h3-9,14H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine?
4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine has a molecular weight of 247.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2-fluorophenyl)pyridine is sourced from PubChem (CID 174876560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).