2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

C14H9N3O2 — CID 703039

IUPAC2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1
InChIInChI=1S/C14H9N3O2/c1-7-2-3-11-9(4-7)12(18)10-5-8(6-15)13(16)17-14(10)19-11/h2-5H,1H3,(H2,16,17)
InChIKeyYVXRKDVOSYFSPJ-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.10
Rot. Bonds

About 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 703039) has the molecular formula C14H9N3O2 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID703039
Molecular FormulaC14H9N3O2
Molecular Weight251.24 g/mol
Exact Mass251.07
IUPAC Name2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESCc1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1
InChIInChI=1S/C14H9N3O2/c1-7-2-3-11-9(4-7)12(18)10-5-8(6-15)13(16)17-14(10)19-11/h2-5H,1H3,(H2,16,17)
InChIKeyYVXRKDVOSYFSPJ-UHFFFAOYSA-N
XLogP2.10
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (CID 703039) is 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is Cc1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1.
What is the InChIKey of 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is YVXRKDVOSYFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c1-7-2-3-11-9(4-7)12(18)10-5-8(6-15)13(16)17-14(10)19-11/h2-5H,1H3,(H2,16,17).
What are the key properties of 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 251.24 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 703039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).