(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine

C16H13ClF3N3O — CID 71014719

IUPAC(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine
SMILESNC1=NCC[C@@](c2cc(-c3cncc(Cl)c3)ccc2F)(C(F)F)O1
InChIInChI=1S/C16H13ClF3N3O/c17-11-5-10(7-22-8-11)9-1-2-13(18)12(6-9)16(14(19)20)3-4-23-15(21)24-16/h1-2,5-8,14H,3-4H2,(H2,21,23)/t16-/m1/s1
InChIKeyYVHMQEBBARQQHJ-MRXNPFEDSA-N
MW355.75 g/mol
LogP3.74
Rot. Bonds3

About (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine

(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine (PubChem CID 71014719) has the molecular formula C16H13ClF3N3O and a molecular weight of 355.75 g/mol. Its IUPAC name is (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine
PubChem CID71014719
Molecular FormulaC16H13ClF3N3O
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC Name(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine
SMILESNC1=NCC[C@@](c2cc(-c3cncc(Cl)c3)ccc2F)(C(F)F)O1
InChIInChI=1S/C16H13ClF3N3O/c17-11-5-10(7-22-8-11)9-1-2-13(18)12(6-9)16(14(19)20)3-4-23-15(21)24-16/h1-2,5-8,14H,3-4H2,(H2,21,23)/t16-/m1/s1
InChIKeyYVHMQEBBARQQHJ-MRXNPFEDSA-N
XLogP3.74
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine with MolForge

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Related Compounds

(4S)-4-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-4-(difluoromethyl)-5,6-dihydro-1,3-oxazine
CID 141348881
(5R)-5-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66558613
(4aR)-2'-amino-7-(5-chloro-3-pyridinyl)-4a-methylspiro[2,3,4,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-oxazole]-2-ol
CID 67950145
5-[3-[(5R,6R)-2-amino-5-fluoro-6-methyl-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-3-carbonitrile
CID 71014867
CID 145059101
CID 145059101
(6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67383193
7-(5-chloro-3-pyridinyl)-2,2-difluorospiro[3,4,4a,9a-tetrahydro-1H-xanthene-9,4'-5H-1,3-oxazole]-2'-amine
CID 67950034
(4aR)-2'-amino-7-(5-chloro-3-pyridinyl)spiro[1,2,3,4,4a,9a-hexahydroxanthene-9,4'-5H-1,3-oxazole]-3-ol
CID 67950215
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
(2S,4aS,9R,9aR)-2'-amino-7-(5-chloro-3-pyridinyl)spiro[1,2,3,4,4a,9a-hexahydroxanthene-9,4'-5H-1,3-oxazole]-2-ol
CID 67950123
6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine
CID 57386149
5-(5-chloro-3-pyridinyl)pyridin-3-amine
CID 141394727

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine (CID 71014719) is (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine is NC1=NCC[C@@](c2cc(-c3cncc(Cl)c3)ccc2F)(C(F)F)O1.
What is the InChIKey of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine?
The InChIKey is YVHMQEBBARQQHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13ClF3N3O/c17-11-5-10(7-22-8-11)9-1-2-13(18)12(6-9)16(14(19)20)3-4-23-15(21)24-16/h1-2,5-8,14H,3-4H2,(H2,21,23)/t16-/m1/s1.
What are the key properties of (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine?
(6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine has a molecular weight of 355.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6-(difluoromethyl)-4,5-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 71014719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).