[(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol

C13H16ClFN2O2 — CID 129272346

IUPAC[(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol
SMILESOC[C@@]1(CF)Cc2ncc(Cl)cc2N2CCOC[C@H]21
InChIInChI=1S/C13H16ClFN2O2/c14-9-3-11-10(16-5-9)4-13(7-15,8-18)12-6-19-2-1-17(11)12/h3,5,12,18H,1-2,4,6-8H2/t12-,13-/m0/s1
InChIKeyGYFSZKGTNDLLSZ-STQMWFEESA-N
MW286.73 g/mol
LogP1.44
Rot. Bonds2

About [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol

[(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol (PubChem CID 129272346) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol.

Molecular Properties

Compound Name[(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol
PubChem CID129272346
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name[(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol
SMILESOC[C@@]1(CF)Cc2ncc(Cl)cc2N2CCOC[C@H]21
InChIInChI=1S/C13H16ClFN2O2/c14-9-3-11-10(16-5-9)4-13(7-15,8-18)12-6-19-2-1-17(11)12/h3,5,12,18H,1-2,4,6-8H2/t12-,13-/m0/s1
InChIKeyGYFSZKGTNDLLSZ-STQMWFEESA-N
XLogP1.44
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol with MolForge

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Related Compounds

ethyl 9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate
CID 129248639
ethyl 5-(fluoromethyl)-9-methyl-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5-carboxylate
CID 145333064
4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylmorpholine
CID 79727473
[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
CID 117009219
4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
CID 117009222
(11S)-5-chloro-13-oxa-8λ6-thia-1,3,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene 8,8-dioxide;methane
CID 159552987
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893
2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxylic acid
CID 91105958
sodium;4-(3,5-dichloro-2-pyridinyl)morpholine;phenoxide
CID 157429238
4-(2,4-dichlorophenyl)morpholine-3-carbonitrile
CID 117009102

Frequently Asked Questions

What is the IUPAC name of [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol?
The IUPAC name of [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol (CID 129272346) is [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol.
What is the SMILES notation for [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol?
The canonical SMILES for [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol is OC[C@@]1(CF)Cc2ncc(Cl)cc2N2CCOC[C@H]21.
What is the InChIKey of [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol?
The InChIKey is GYFSZKGTNDLLSZ-STQMWFEESA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-9-3-11-10(16-5-9)4-13(7-15,8-18)12-6-19-2-1-17(11)12/h3,5,12,18H,1-2,4,6-8H2/t12-,13-/m0/s1.
What are the key properties of [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol?
[(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol has a molecular weight of 286.73 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,5R)-9-chloro-5-(fluoromethyl)-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-5-yl]methanol is sourced from PubChem (CID 129272346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).