6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine

C14H14ClN3O — CID 115474076

IUPAC6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NC1CCOc2ccccc21
InChIInChI=1S/C14H14ClN3O/c15-13-6-5-10(16)14(18-13)17-11-7-8-19-12-4-2-1-3-9(11)12/h1-6,11H,7-8,16H2,(H,17,18)
InChIKeyNTDQGYATYROIOA-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.25
Rot. Bonds2

About 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine

6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine (PubChem CID 115474076) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
PubChem CID115474076
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NC1CCOc2ccccc21
InChIInChI=1S/C14H14ClN3O/c15-13-6-5-10(16)14(18-13)17-11-7-8-19-12-4-2-1-3-9(11)12/h1-6,11H,7-8,16H2,(H,17,18)
InChIKeyNTDQGYATYROIOA-UHFFFAOYSA-N
XLogP3.25
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)-1,3,5-triazine-2,4-diamine
CID 80826648
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
CID 83077158
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
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
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
N-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-1-ylquinoxalin-2-amine
CID 108774221

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine (CID 115474076) is 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1NC1CCOc2ccccc21.
What is the InChIKey of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
The InChIKey is NTDQGYATYROIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-13-6-5-10(16)14(18-13)17-11-7-8-19-12-4-2-1-3-9(11)12/h1-6,11H,7-8,16H2,(H,17,18).
What are the key properties of 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine has a molecular weight of 275.74 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 115474076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).