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

C19H13N3O — CID 2839492

IUPAC3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2C1c1cccnc1
InChIInChI=1S/C19H13N3O/c20-10-15-17(13-5-3-9-22-11-13)18-14-6-2-1-4-12(14)7-8-16(18)23-19(15)21/h1-9,11,17H,21H2
InChIKeyQRROZYHGCJIAJU-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.45
Rot. Bonds1

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

3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile (PubChem CID 2839492) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
PubChem CID2839492
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccccc3c2C1c1cccnc1
InChIInChI=1S/C19H13N3O/c20-10-15-17(13-5-3-9-22-11-13)18-14-6-2-1-4-12(14)7-8-16(18)23-19(15)21/h1-9,11,17H,21H2
InChIKeyQRROZYHGCJIAJU-UHFFFAOYSA-N
XLogP3.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 818621
3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 613563
(1S)-3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 689413
(1S)-3-amino-1-(3-bromophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 6989223
3-amino-1-(1-ethylpyrazol-4-yl)-1H-benzo[f]chromene-2-carbonitrile
CID 5300991
(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile
CID 689158
3-amino-1-(1,3-benzodioxol-5-yl)-1H-benzo[f]chromene-2-carbonitrile
CID 4632257
(1S)-3-amino-1-(4-methylsulfanylphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968484
(1S)-3-amino-1-(3-phenylmethoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 7921941
(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 675919
(1S)-3-amino-1-thiophen-2-yl-1H-benzo[f]chromene-2-carbonitrile
CID 968497
2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 4007247

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The IUPAC name of 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile (CID 2839492) is 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile.
What is the SMILES notation for 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The canonical SMILES for 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile is N#CC1=C(N)Oc2ccc3ccccc3c2C1c1cccnc1.
What is the InChIKey of 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The InChIKey is QRROZYHGCJIAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c20-10-15-17(13-5-3-9-22-11-13)18-14-6-2-1-4-12(14)7-8-16(18)23-19(15)21/h1-9,11,17H,21H2.
What are the key properties of 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile?
3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile is sourced from PubChem (CID 2839492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).