1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole

C14H13ClN2 — CID 61256792

IUPAC1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
SMILESClCc1ccnc(N2CCc3ccccc32)c1
InChIInChI=1S/C14H13ClN2/c15-10-11-5-7-16-14(9-11)17-8-6-12-3-1-2-4-13(12)17/h1-5,7,9H,6,8,10H2
InChIKeyZSGAQBNUYIADHM-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.51
Rot. Bonds2

About 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole

1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole (PubChem CID 61256792) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
PubChem CID61256792
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
SMILESClCc1ccnc(N2CCc3ccccc32)c1
InChIInChI=1S/C14H13ClN2/c15-10-11-5-7-16-14(9-11)17-8-6-12-3-1-2-4-13(12)17/h1-5,7,9H,6,8,10H2
InChIKeyZSGAQBNUYIADHM-UHFFFAOYSA-N
XLogP3.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62281361
1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 61257602
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
5-(chloromethyl)-2-(2,3-dihydroindol-1-yl)benzonitrile
CID 114063521
1-(6-fluoropyrimidin-4-yl)-2,3-dihydroindole
CID 115416366
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 84574277
1-[5-(bromomethyl)-2-pyridinyl]-2,3-dihydroindole
CID 107079443
2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
CID 115042593
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093
2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172612
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole?
The IUPAC name of 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole (CID 61256792) is 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole?
The canonical SMILES for 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole is ClCc1ccnc(N2CCc3ccccc32)c1.
What is the InChIKey of 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole?
The InChIKey is ZSGAQBNUYIADHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-10-11-5-7-16-14(9-11)17-8-6-12-3-1-2-4-13(12)17/h1-5,7,9H,6,8,10H2.
What are the key properties of 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole?
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole has a molecular weight of 244.73 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole is sourced from PubChem (CID 61256792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).