6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]

C11H13ClN2O2 — CID 162728785

IUPAC6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]
SMILESCN1COC2(CCOC2)c2nc(Cl)ccc21
InChIInChI=1S/C11H13ClN2O2/c1-14-7-16-11(4-5-15-6-11)10-8(14)2-3-9(12)13-10/h2-3H,4-7H2,1H3
InChIKeyRQSCVRFKNCORNN-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.77
Rot. Bonds

About 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]

6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane] (PubChem CID 162728785) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane].

Molecular Properties

Compound Name6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]
PubChem CID162728785
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]
SMILESCN1COC2(CCOC2)c2nc(Cl)ccc21
InChIInChI=1S/C11H13ClN2O2/c1-14-7-16-11(4-5-15-6-11)10-8(14)2-3-9(12)13-10/h2-3H,4-7H2,1H3
InChIKeyRQSCVRFKNCORNN-UHFFFAOYSA-N
XLogP1.77
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]
CID 162728885
2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine
CID 162728803
4-(azetidin-3-yloxy)-2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 168876998
N-[1-(6-chloro-3-pyridinyl)ethyl]-3-methyloxolan-3-amine
CID 115922615
2-chloro-4-(3-methoxybutoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 175206156
2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine
CID 169305639
4-[(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxymethyl]oxane-4-carbonitrile
CID 168877012
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
N-[6-chloro-2-[(4-hydroxyoxan-4-yl)methylamino]-3-pyridinyl]acetamide
CID 171838773
2-[1-(6-chloro-3-pyridinyl)ethyl]-6-oxa-2-azaspiro[3.4]octane
CID 172624442
4-(difluoromethyl)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 162728856
6-chloro-2-methyl-N-(3-methyloxan-3-yl)pyrimidin-4-amine
CID 103895836

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]?
The IUPAC name of 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane] (CID 162728785) is 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane].
What is the SMILES notation for 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]?
The canonical SMILES for 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane] is CN1COC2(CCOC2)c2nc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]?
The InChIKey is RQSCVRFKNCORNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-14-7-16-11(4-5-15-6-11)10-8(14)2-3-9(12)13-10/h2-3H,4-7H2,1H3.
What are the key properties of 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane]?
6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane] has a molecular weight of 240.69 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylspiro[2H-pyrido[3,2-d][1,3]oxazine-4,3'-oxolane] is sourced from PubChem (CID 162728785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).