2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile

C19H11N3O — CID 132508598

IUPAC2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile
SMILES[H]/N=c1\oc2c(ccc3ccccc32)c(-c2cccnc2)c1C#N
InChIInChI=1S/C19H11N3O/c20-10-16-17(13-5-3-9-22-11-13)15-8-7-12-4-1-2-6-14(12)18(15)23-19(16)21/h1-9,11,21H/b21-19-
InChIKeyBFQBIGHZFCPANZ-VZCXRCSSSA-N
MW297.32 g/mol
LogP4.00
Rot. Bonds1

About 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile

2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile (PubChem CID 132508598) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile
PubChem CID132508598
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile
SMILES[H]/N=c1\oc2c(ccc3ccccc32)c(-c2cccnc2)c1C#N
InChIInChI=1S/C19H11N3O/c20-10-16-17(13-5-3-9-22-11-13)15-8-7-12-4-1-2-6-14(12)18(15)23-19(16)21/h1-9,11,21H/b21-19-
InChIKeyBFQBIGHZFCPANZ-VZCXRCSSSA-N
XLogP4.00
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
4-(10-pyridin-3-ylanthracen-9-yl)cyclohexa-3,5-diene-1,2-diimine
CID 145117365
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-8-yl)phenyl]-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130261875
2-[3,5-bis(naphtho[1,2-b][1]benzofuran-8-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263147
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
4-([1]benzofuro[2,3-b]indol-6-yl)-2,3,5,6-tetrapyridin-3-ylbenzonitrile
CID 140966591
3,5-bis([1]benzofuro[2,3-b]indol-6-yl)-2,4,6-tripyridin-3-ylbenzonitrile
CID 140966566
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
13-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445656
3-cyanobenzo[g][1]benzofuran-2-carboxamide
CID 143084494
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]naphthalene-1-carbonitrile
CID 158294530

Frequently Asked Questions

What is the IUPAC name of 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile (CID 132508598) is 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile is [H]/N=c1\oc2c(ccc3ccccc32)c(-c2cccnc2)c1C#N.
What is the InChIKey of 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile?
The InChIKey is BFQBIGHZFCPANZ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H11N3O/c20-10-16-17(13-5-3-9-22-11-13)15-8-7-12-4-1-2-6-14(12)18(15)23-19(16)21/h1-9,11,21H/b21-19-.
What are the key properties of 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile?
2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-pyridin-3-ylbenzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 132508598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).