6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine

C14H14ClN3 — CID 104925398

IUPAC6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C14H14ClN3/c15-13-7-11(16)8-14(18-13)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12H,5-6H2,(H3,16,17,18)
InChIKeySVGSQLJSYKFEAU-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.90
Rot. Bonds2

About 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine

6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine (PubChem CID 104925398) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine
PubChem CID104925398
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C14H14ClN3/c15-13-7-11(16)8-14(18-13)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12H,5-6H2,(H3,16,17,18)
InChIKeySVGSQLJSYKFEAU-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine (CID 104925398) is 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine is Nc1cc(Cl)nc(NC2Cc3ccccc3C2)c1.
What is the InChIKey of 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine?
The InChIKey is SVGSQLJSYKFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-13-7-11(16)8-14(18-13)17-12-5-9-3-1-2-4-10(9)6-12/h1-4,7-8,12H,5-6H2,(H3,16,17,18).
What are the key properties of 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine?
6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine has a molecular weight of 259.74 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine is sourced from PubChem (CID 104925398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).