2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid

C11H14N2O3 — CID 753726

IUPAC2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid
SMILESCC1(C)Cc2nc(N)c(C(=O)O)cc2CO1
InChIInChI=1S/C11H14N2O3/c1-11(2)4-8-6(5-16-11)3-7(10(14)15)9(12)13-8/h3H,4-5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyDNIMSDHVMRWPRK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.21
Rot. Bonds1

About 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid

2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid (PubChem CID 753726) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid
PubChem CID753726
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid
SMILESCC1(C)Cc2nc(N)c(C(=O)O)cc2CO1
InChIInChI=1S/C11H14N2O3/c1-11(2)4-8-6(5-16-11)3-7(10(14)15)9(12)13-8/h3H,4-5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyDNIMSDHVMRWPRK-UHFFFAOYSA-N
XLogP1.21
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid (CID 753726) is 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid is CC1(C)Cc2nc(N)c(C(=O)O)cc2CO1.
What is the InChIKey of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is DNIMSDHVMRWPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2)4-8-6(5-16-11)3-7(10(14)15)9(12)13-8/h3H,4-5H2,1-2H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid?
2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 753726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).