1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine

C14H14ClN3 — CID 79840923

IUPAC1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccncc1Cl
InChIInChI=1S/C14H14ClN3/c15-12-8-17-6-5-14(12)18-13-4-1-9-7-10(16)2-3-11(9)13/h2-3,5-8,13H,1,4,16H2,(H,17,18)
InChIKeyVJSLPRGRKAGUMG-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.42
Rot. Bonds2

About 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79840923) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79840923
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccncc1Cl
InChIInChI=1S/C14H14ClN3/c15-12-8-17-6-5-14(12)18-13-4-1-9-7-10(16)2-3-11(9)13/h2-3,5-8,13H,1,4,16H2,(H,17,18)
InChIKeyVJSLPRGRKAGUMG-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79840923) is 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2Nc1ccncc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is VJSLPRGRKAGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-12-8-17-6-5-14(12)18-13-4-1-9-7-10(16)2-3-11(9)13/h2-3,5-8,13H,1,4,16H2,(H,17,18).
What are the key properties of 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 259.74 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79840923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).