2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile

C15H12ClN3O — CID 83077158

IUPAC2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C15H12ClN3O/c16-14-7-10(9-17)8-15(19-14)18-12-5-6-20-13-4-2-1-3-11(12)13/h1-4,7-8,12H,5-6H2,(H,18,19)
InChIKeyNPCXVRZHERITHS-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.54
Rot. Bonds2

About 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile

2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile (PubChem CID 83077158) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
PubChem CID83077158
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C15H12ClN3O/c16-14-7-10(9-17)8-15(19-14)18-12-5-6-20-13-4-2-1-3-11(12)13/h1-4,7-8,12H,5-6H2,(H,18,19)
InChIKeyNPCXVRZHERITHS-UHFFFAOYSA-N
XLogP3.54
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
CID 83076352
2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 60724407
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylamino)benzonitrile
CID 82707909
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
2-[5-[6-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpyrimidin-4-yl]-2-methylanilino]acetonitrile
CID 123991959
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 115474076
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326094
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile (CID 83077158) is 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NC2CCOc3ccccc32)c1.
What is the InChIKey of 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile?
The InChIKey is NPCXVRZHERITHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-14-7-10(9-17)8-15(19-14)18-12-5-6-20-13-4-2-1-3-11(12)13/h1-4,7-8,12H,5-6H2,(H,18,19).
What are the key properties of 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile?
2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile has a molecular weight of 285.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 83077158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).