3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile

C19H13N3O2 — CID 3742452

IUPAC3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccc(O)cc3c2C1c1cccnc1
InChIInChI=1S/C19H13N3O2/c20-9-15-17(12-2-1-7-22-10-12)18-14-8-13(23)5-3-11(14)4-6-16(18)24-19(15)21/h1-8,10,17,23H,21H2
InChIKeyFAIGEWPEIQXEAW-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.16
Rot. Bonds1

About 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile

3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile (PubChem CID 3742452) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
PubChem CID3742452
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccc(O)cc3c2C1c1cccnc1
InChIInChI=1S/C19H13N3O2/c20-9-15-17(12-2-1-7-22-10-12)18-14-8-13(23)5-3-11(14)4-6-16(18)24-19(15)21/h1-8,10,17,23H,21H2
InChIKeyFAIGEWPEIQXEAW-UHFFFAOYSA-N
XLogP3.16
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The IUPAC name of 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile (CID 3742452) is 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile.
What is the SMILES notation for 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The canonical SMILES for 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile is N#CC1=C(N)Oc2ccc3ccc(O)cc3c2C1c1cccnc1.
What is the InChIKey of 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The InChIKey is FAIGEWPEIQXEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-9-15-17(12-2-1-7-22-10-12)18-14-8-13(23)5-3-11(14)4-6-16(18)24-19(15)21/h1-8,10,17,23H,21H2.
What are the key properties of 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile has a molecular weight of 315.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-hydroxy-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile is sourced from PubChem (CID 3742452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).