(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol

C8H9ClN2O2 — CID 68596196

IUPAC(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol
SMILESOCc1nc2c(cc1Cl)OCCN2
InChIInChI=1S/C8H9ClN2O2/c9-5-3-7-8(10-1-2-13-7)11-6(5)4-12/h3,12H,1-2,4H2,(H,10,11)
InChIKeyVTLPCULYIMELSM-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.03
Rot. Bonds1

About (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol

(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol (PubChem CID 68596196) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol.

Molecular Properties

Compound Name(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol
PubChem CID68596196
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol
SMILESOCc1nc2c(cc1Cl)OCCN2
InChIInChI=1S/C8H9ClN2O2/c9-5-3-7-8(10-1-2-13-7)11-6(5)4-12/h3,12H,1-2,4H2,(H,10,11)
InChIKeyVTLPCULYIMELSM-UHFFFAOYSA-N
XLogP1.03
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol?
The IUPAC name of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol (CID 68596196) is (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol.
What is the SMILES notation for (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol?
The canonical SMILES for (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol is OCc1nc2c(cc1Cl)OCCN2.
What is the InChIKey of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol?
The InChIKey is VTLPCULYIMELSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-5-3-7-8(10-1-2-13-7)11-6(5)4-12/h3,12H,1-2,4H2,(H,10,11).
What are the key properties of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol?
(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol has a molecular weight of 200.62 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methanol is sourced from PubChem (CID 68596196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).