2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile

C13H9N3O — CID 156630810

IUPAC2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#CC1=C(N)N=C2Oc3ccccc3C=C2C1
InChIInChI=1S/C13H9N3O/c14-7-10-6-9-5-8-3-1-2-4-11(8)17-13(9)16-12(10)15/h1-5H,6,15H2
InChIKeyJSMSBCXHUIRQQL-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.96
Rot. Bonds

About 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile

2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 156630810) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID156630810
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC Name2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#CC1=C(N)N=C2Oc3ccccc3C=C2C1
InChIInChI=1S/C13H9N3O/c14-7-10-6-9-5-8-3-1-2-4-11(8)17-13(9)16-12(10)15/h1-5H,6,15H2
InChIKeyJSMSBCXHUIRQQL-UHFFFAOYSA-N
XLogP1.96
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86188664
3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
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2-(2H-chromen-3-yl)pyridine
CID 10859833
benzo[b][1,4]benzoxazepine-6-carbonitrile
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4-amino-5H-1,3-benzoxazepin-2-one
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(1Z,25Z)-9,18-dioxatetracyclo[24.3.1.03,8.019,24]triaconta-1,3,5,7,19,21,23,25-octaen-30-one
CID 177476472
2,3-dihydro-1H-pyrimido[1,2-a]quinoline-5-carbonitrile
CID 177401459
2-azatricyclo[7.4.0.03,5]trideca-1(13),2,5,7,9,11-hexaen-6-amine
CID 70598379
1,1'-spirobi[xanthene]
CID 142709696
2-amino-7-fluoro-4H-chromene-3-carbonitrile
CID 139224270
5-amino-4H-[1]benzoxepino[3,2-b]pyridin-3-one
CID 138701769
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CID 125497989

Frequently Asked Questions

What is the IUPAC name of 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 156630810) is 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile is N#CC1=C(N)N=C2Oc3ccccc3C=C2C1.
What is the InChIKey of 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is JSMSBCXHUIRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c14-7-10-6-9-5-8-3-1-2-4-11(8)17-13(9)16-12(10)15/h1-5H,6,15H2.
What are the key properties of 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile?
2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 156630810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).