1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine

C14H13Cl2N3 — CID 106994975

IUPAC1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1ccc(Cl)nc1Cl)CC2
InChIInChI=1S/C14H13Cl2N3/c15-12-5-4-10(14(16)18-12)8-19-7-6-9-2-1-3-11(17)13(9)19/h1-5H,6-8,17H2
InChIKeyJIAWBTKPLBKPJJ-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.53
Rot. Bonds2

About 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine

1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine (PubChem CID 106994975) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
PubChem CID106994975
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1ccc(Cl)nc1Cl)CC2
InChIInChI=1S/C14H13Cl2N3/c15-12-5-4-10(14(16)18-12)8-19-7-6-9-2-1-3-11(17)13(9)19/h1-5H,6-8,17H2
InChIKeyJIAWBTKPLBKPJJ-UHFFFAOYSA-N
XLogP3.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
CID 114930849
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456721
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456501
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456594
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456196
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
3-[(7-amino-2,3-dihydroindol-1-yl)methyl]-4-methoxybenzonitrile
CID 114456458
1-[(3-propylimidazol-4-yl)methyl]-2,3-dihydroindol-7-amine
CID 114456381
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine (CID 106994975) is 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine is Nc1cccc2c1N(Cc1ccc(Cl)nc1Cl)CC2.
What is the InChIKey of 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine?
The InChIKey is JIAWBTKPLBKPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c15-12-5-4-10(14(16)18-12)8-19-7-6-9-2-1-3-11(17)13(9)19/h1-5H,6-8,17H2.
What are the key properties of 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine?
1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine has a molecular weight of 294.19 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 106994975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).