7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine

C18H13ClFN3O — CID 171419248

IUPAC7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccncc1
InChIInChI=1S/C18H13ClFN3O/c19-12-1-2-15(20)14(9-12)16-10-17-18(11-22-16)24-8-7-23(17)13-3-5-21-6-4-13/h1-6,9-11H,7-8H2
InChIKeyNAWMEHQAUUGKKQ-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.47
Rot. Bonds2

About 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine

7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 171419248) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID171419248
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC Name7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccncc1
InChIInChI=1S/C18H13ClFN3O/c19-12-1-2-15(20)14(9-12)16-10-17-18(11-22-16)24-8-7-23(17)13-3-5-21-6-4-13/h1-6,9-11H,7-8H2
InChIKeyNAWMEHQAUUGKKQ-UHFFFAOYSA-N
XLogP4.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine with MolForge

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Related Compounds

US10155760, Example 238
CID 118419882
US10155760, Example 147
CID 118429884
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
2-(3-chlorophenyl)-3-(fluoromethoxy)-6-[(1-(111C)methylpyrazol-4-yl)methyl]pyridine
CID 168279860
4-(3-Chlorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983838
5-(4-Chloro-phenyl)-2-[5-(2-pyrrolidin-1-yl-ethoxy)-pyridin-2-yl-ethynyl]-pyridine
CID 59835871
US10155760, Example 158
CID 118420068
US10155760, Example 235
CID 118419901
US10155760, Example 241
CID 118419907
US10155760, Example 143
CID 129279925
(2S)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
CID 44340648
(2S)-1-[[6-chloro-5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]-N,N-dimethyl-3-phenylpropan-2-amine
CID 44340843

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 171419248) is 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine is Fc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccncc1.
What is the InChIKey of 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is NAWMEHQAUUGKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-12-1-2-15(20)14(9-12)16-10-17-18(11-22-16)24-8-7-23(17)13-3-5-21-6-4-13/h1-6,9-11H,7-8H2.
What are the key properties of 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine?
7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 341.77 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-fluorophenyl)-1-pyridin-4-yl-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 171419248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).