(3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

C9H10ClN3O — CID 130806082

IUPAC(3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESNC1=N[C@@H](c2ccc(Cl)nc2)COC1
InChIInChI=1S/C9H10ClN3O/c10-8-2-1-6(3-12-8)7-4-14-5-9(11)13-7/h1-3,7H,4-5H2,(H2,11,13)/t7-/m1/s1
InChIKeyRQTBURVIDKJBFT-SSDOTTSWSA-N
MW211.65 g/mol
LogP1.16
Rot. Bonds1

About (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine

(3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 130806082) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound Name(3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID130806082
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name(3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESNC1=N[C@@H](c2ccc(Cl)nc2)COC1
InChIInChI=1S/C9H10ClN3O/c10-8-2-1-6(3-12-8)7-4-14-5-9(11)13-7/h1-3,7H,4-5H2,(H2,11,13)/t7-/m1/s1
InChIKeyRQTBURVIDKJBFT-SSDOTTSWSA-N
XLogP1.16
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
CID 130848036
3-(2-iodophenyl)-3,6-dihydro-2H-1,4-oxazin-5-amine
CID 130871179
(1S,2R,3S,4R)-3-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-2-amine
CID 155556197
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
CID 57485609
(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine
CID 11543114
(1S,4S,5S)-5-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10058912
2-(6-chloro-3-pyridinyl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 87516542
5-(oxetan-3-yl)pyridin-2-amine
CID 154705983
2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
CID 88937447
2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
CID 162524227
2-chloro-5-(4,4-difluorocyclohexyl)pyridine
CID 174780883

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 130806082) is (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is NC1=N[C@@H](c2ccc(Cl)nc2)COC1.
What is the InChIKey of (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is RQTBURVIDKJBFT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-8-2-1-6(3-12-8)7-4-14-5-9(11)13-7/h1-3,7H,4-5H2,(H2,11,13)/t7-/m1/s1.
What are the key properties of (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine?
(3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 211.65 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 130806082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).