2,6-difluoro-3-(4-propoxyphenyl)pyridine

C14H13F2NO — CID 19765788

IUPAC2,6-difluoro-3-(4-propoxyphenyl)pyridine
SMILESCCCOc1ccc(-c2ccc(F)nc2F)cc1
InChIInChI=1S/C14H13F2NO/c1-2-9-18-11-5-3-10(4-6-11)12-7-8-13(15)17-14(12)16/h3-8H,2,9H2,1H3
InChIKeyNFZAAOAWKXMWLS-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.82
Rot. Bonds4

About 2,6-difluoro-3-(4-propoxyphenyl)pyridine

2,6-difluoro-3-(4-propoxyphenyl)pyridine (PubChem CID 19765788) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-propoxyphenyl)pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-(4-propoxyphenyl)pyridine
PubChem CID19765788
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2,6-difluoro-3-(4-propoxyphenyl)pyridine
SMILESCCCOc1ccc(-c2ccc(F)nc2F)cc1
InChIInChI=1S/C14H13F2NO/c1-2-9-18-11-5-3-10(4-6-11)12-7-8-13(15)17-14(12)16/h3-8H,2,9H2,1H3
InChIKeyNFZAAOAWKXMWLS-UHFFFAOYSA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.82
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

1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
2-fluoro-6-(4-propoxyphenoxy)pyridine
CID 61229354
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
2,3-difluoro-4-(4-propoxyphenyl)benzonitrile
CID 14548496
1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene
CID 90128789
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
CID 19765813
3-[2-(4-butoxyphenyl)ethynyl]-2,6-difluoropyridine;2,6-difluoro-3-[2-(4-methoxyphenyl)ethynyl]pyridine;2,6-difluoro-3-[2-(4-pentoxyphenyl)ethynyl]pyridine;2,6-difluoro-3-[2-(4-propoxyphenyl)ethynyl]pyridine;3-[2-(4-ethoxyphenyl)ethynyl]-2,6-difluoropyridine
CID 173372504
2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline
CID 107615777
2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
CID 79078918

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-propoxyphenyl)pyridine?
The IUPAC name of 2,6-difluoro-3-(4-propoxyphenyl)pyridine (CID 19765788) is 2,6-difluoro-3-(4-propoxyphenyl)pyridine.
What is the SMILES notation for 2,6-difluoro-3-(4-propoxyphenyl)pyridine?
The canonical SMILES for 2,6-difluoro-3-(4-propoxyphenyl)pyridine is CCCOc1ccc(-c2ccc(F)nc2F)cc1.
What is the InChIKey of 2,6-difluoro-3-(4-propoxyphenyl)pyridine?
The InChIKey is NFZAAOAWKXMWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-2-9-18-11-5-3-10(4-6-11)12-7-8-13(15)17-14(12)16/h3-8H,2,9H2,1H3.
What are the key properties of 2,6-difluoro-3-(4-propoxyphenyl)pyridine?
2,6-difluoro-3-(4-propoxyphenyl)pyridine has a molecular weight of 249.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-propoxyphenyl)pyridine is sourced from PubChem (CID 19765788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).