2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine

C19H18FNO2 — CID 69047686

IUPAC2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine
SMILESCOC1C=C(c2ccccc2)C=CC1(C)Oc1cccc(F)n1
InChIInChI=1S/C19H18FNO2/c1-19(23-18-10-6-9-17(20)21-18)12-11-15(13-16(19)22-2)14-7-4-3-5-8-14/h3-13,16H,1-2H3
InChIKeyLYSRXCIIDRYUMQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.03
Rot. Bonds4

About 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine

2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine (PubChem CID 69047686) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine.

Molecular Properties

Compound Name2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine
PubChem CID69047686
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine
SMILESCOC1C=C(c2ccccc2)C=CC1(C)Oc1cccc(F)n1
InChIInChI=1S/C19H18FNO2/c1-19(23-18-10-6-9-17(20)21-18)12-11-15(13-16(19)22-2)14-7-4-3-5-8-14/h3-13,16H,1-2H3
InChIKeyLYSRXCIIDRYUMQ-UHFFFAOYSA-N
XLogP4.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-methoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 142666137
methyl 1-fluoro-4-phenyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylate
CID 170991837
2-fluoro-6-(furan-2-ylmethoxy)pyridine
CID 61228771
4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine
CID 151570595
6,6-diamino-3-phenylcyclohexa-2,4-diene-1-thiol
CID 88638911
6-chloro-1-methyl-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991470
7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
2-(6-chloro-6-methyl-3-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 174698946
5-tert-butyl-5-chloro-2-phenylcyclohexa-1,3-diene
CID 175021722
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
CID 145162638
2-cyclopentyloxy-6-fluoropyridine
CID 61227788

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine?
The IUPAC name of 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine (CID 69047686) is 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine.
What is the SMILES notation for 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine?
The canonical SMILES for 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine is COC1C=C(c2ccccc2)C=CC1(C)Oc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine?
The InChIKey is LYSRXCIIDRYUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-19(23-18-10-6-9-17(20)21-18)12-11-15(13-16(19)22-2)14-7-4-3-5-8-14/h3-13,16H,1-2H3.
What are the key properties of 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine?
2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine has a molecular weight of 311.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine is sourced from PubChem (CID 69047686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).