1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole

C16H17ClN2 — CID 113378830

IUPAC1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
SMILESCc1cc(CCl)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C16H17ClN2/c1-11-7-13(10-17)9-16(18-11)19-12(2)8-14-5-3-4-6-15(14)19/h3-7,9,12H,8,10H2,1-2H3
InChIKeyJWFHUYLVOQECLS-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.21
Rot. Bonds2

About 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole

1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole (PubChem CID 113378830) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
PubChem CID113378830
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
SMILESCc1cc(CCl)cc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C16H17ClN2/c1-11-7-13(10-17)9-16(18-11)19-12(2)8-14-5-3-4-6-15(14)19/h3-7,9,12H,8,10H2,1-2H3
InChIKeyJWFHUYLVOQECLS-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.21
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-(6-chloro-2-ethylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80943520
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 112927146
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929781
1-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 112876835
N-(2-fluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929425
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
CID 63540213
[4,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 61252422
1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 61257602

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole (CID 113378830) is 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole is Cc1cc(CCl)cc(N2c3ccccc3CC2C)n1.
What is the InChIKey of 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole?
The InChIKey is JWFHUYLVOQECLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11-7-13(10-17)9-16(18-11)19-12(2)8-14-5-3-4-6-15(14)19/h3-7,9,12H,8,10H2,1-2H3.
What are the key properties of 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole?
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole has a molecular weight of 272.78 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 113378830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).