1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole

C14H13ClN2 — CID 62470174

IUPAC1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole
SMILESClc1ncccc1CN1CCc2ccccc21
InChIInChI=1S/C14H13ClN2/c15-14-12(5-3-8-16-14)10-17-9-7-11-4-1-2-6-13(11)17/h1-6,8H,7,9-10H2
InChIKeyDSNYCFMHWXMVHS-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.30
Rot. Bonds2

About 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole

1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole (PubChem CID 62470174) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole
PubChem CID62470174
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole
SMILESClc1ncccc1CN1CCc2ccccc21
InChIInChI=1S/C14H13ClN2/c15-14-12(5-3-8-16-14)10-17-9-7-11-4-1-2-6-13(11)17/h1-6,8H,7,9-10H2
InChIKeyDSNYCFMHWXMVHS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-ylmethyl)-N-methylpyridin-2-amine
CID 55075498
2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
CID 60669763
[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 62471565
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole
CID 121174038
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
7-chloro-5-[(2-chloro-3-pyridinyl)methyl]-1-methyl-3,4-dihydro-2H-1,5-benzodiazepine
CID 75422316
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
1-[(4,6-dichloro-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 116519024
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-3,4-dihydro-2H-quinoline
CID 75398516

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole (CID 62470174) is 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole is Clc1ncccc1CN1CCc2ccccc21.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole?
The InChIKey is DSNYCFMHWXMVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-14-12(5-3-8-16-14)10-17-9-7-11-4-1-2-6-13(11)17/h1-6,8H,7,9-10H2.
What are the key properties of 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole?
1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole has a molecular weight of 244.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 62470174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).