2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine

C22H22FNO — CID 19765813

IUPAC2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
SMILESCCCCCOc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)cc1
InChIInChI=1S/C22H22FNO/c1-2-3-4-15-25-21-12-9-18(10-13-21)17-5-7-19(8-6-17)20-11-14-22(23)24-16-20/h5-14,16H,2-4,15H2,1H3
InChIKeyMFCUWKGUAVRYOM-UHFFFAOYSA-N
MW335.42 g/mol
LogP6.12
Rot. Bonds7

About 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine

2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine (PubChem CID 19765813) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
PubChem CID19765813
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
SMILESCCCCCOc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)cc1
InChIInChI=1S/C22H22FNO/c1-2-3-4-15-25-21-12-9-18(10-13-21)17-5-7-19(8-6-17)20-11-14-22(23)24-16-20/h5-14,16H,2-4,15H2,1H3
InChIKeyMFCUWKGUAVRYOM-UHFFFAOYSA-N
XLogP6.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-hexoxypyridine
CID 115371648
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
1,4-dipentoxybenzene
CID 18314717
1-pentoxy-4-phenylbenzene
CID 7021155
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
3-(4-octoxyphenyl)pyridine
CID 90176946
5-(4-hexoxyphenyl)-N-methyl-N-(trifluoromethyl)pyridin-2-amine
CID 14942339
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine (CID 19765813) is 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine is CCCCCOc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)cc1.
What is the InChIKey of 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine?
The InChIKey is MFCUWKGUAVRYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-2-3-4-15-25-21-12-9-18(10-13-21)17-5-7-19(8-6-17)20-11-14-22(23)24-16-20/h5-14,16H,2-4,15H2,1H3.
What are the key properties of 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine?
2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine has a molecular weight of 335.42 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine is sourced from PubChem (CID 19765813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).