3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride

C8H9ClN2O3 — CID 136576311

IUPAC3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2c(c1)OCCN2
InChIInChI=1S/C8H8N2O3.ClH/c11-8(12)5-3-6-7(10-4-5)9-1-2-13-6;/h3-4H,1-2H2,(H,9,10)(H,11,12);1H
InChIKeyCIJUUPNSKYGKAG-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.01
Rot. Bonds1

About 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride

3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride (PubChem CID 136576311) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride
PubChem CID136576311
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2c(c1)OCCN2
InChIInChI=1S/C8H8N2O3.ClH/c11-8(12)5-3-6-7(10-4-5)9-1-2-13-6;/h3-4H,1-2H2,(H,9,10)(H,11,12);1H
InChIKeyCIJUUPNSKYGKAG-UHFFFAOYSA-N
XLogP1.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride (CID 136576311) is 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2c(c1)OCCN2.
What is the InChIKey of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride?
The InChIKey is CIJUUPNSKYGKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3.ClH/c11-8(12)5-3-6-7(10-4-5)9-1-2-13-6;/h3-4H,1-2H2,(H,9,10)(H,11,12);1H.
What are the key properties of 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride?
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride has a molecular weight of 216.62 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 136576311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).