8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid

C14H12BrN3O3 — CID 174224343

IUPAC8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
SMILESCc1cccc(-c2cc(Br)c3c(n2)N(C(=O)O)CCO3)n1
InChIInChI=1S/C14H12BrN3O3/c1-8-3-2-4-10(16-8)11-7-9(15)12-13(17-11)18(14(19)20)5-6-21-12/h2-4,7H,5-6H2,1H3,(H,19,20)
InChIKeyNBHJCJUYKRVQCJ-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.09
Rot. Bonds1

About 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid

8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid (PubChem CID 174224343) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
PubChem CID174224343
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid
SMILESCc1cccc(-c2cc(Br)c3c(n2)N(C(=O)O)CCO3)n1
InChIInChI=1S/C14H12BrN3O3/c1-8-3-2-4-10(16-8)11-7-9(15)12-13(17-11)18(14(19)20)5-6-21-12/h2-4,7H,5-6H2,1H3,(H,19,20)
InChIKeyNBHJCJUYKRVQCJ-UHFFFAOYSA-N
XLogP3.09
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
The IUPAC name of 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid (CID 174224343) is 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid.
What is the SMILES notation for 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
The canonical SMILES for 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid is Cc1cccc(-c2cc(Br)c3c(n2)N(C(=O)O)CCO3)n1.
What is the InChIKey of 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
The InChIKey is NBHJCJUYKRVQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-8-3-2-4-10(16-8)11-7-9(15)12-13(17-11)18(14(19)20)5-6-21-12/h2-4,7H,5-6H2,1H3,(H,19,20).
What are the key properties of 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid?
8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid has a molecular weight of 350.17 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(6-methyl-2-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylic acid is sourced from PubChem (CID 174224343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).