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

C15H15ClN2 — CID 61254888

IUPAC1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccnc(CCl)c1
InChIInChI=1S/C15H15ClN2/c1-11-8-12-4-2-3-5-15(12)18(11)14-6-7-17-13(9-14)10-16/h2-7,9,11H,8,10H2,1H3
InChIKeyIMFTYFJFTGTUBP-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.90
Rot. Bonds2

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

1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole (PubChem CID 61254888) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
PubChem CID61254888
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1c1ccnc(CCl)c1
InChIInChI=1S/C15H15ClN2/c1-11-8-12-4-2-3-5-15(12)18(11)14-6-7-17-13(9-14)10-16/h2-7,9,11H,8,10H2,1H3
InChIKeyIMFTYFJFTGTUBP-UHFFFAOYSA-N
XLogP3.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.90
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

N-[[4-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286320
1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
CID 63540213
[4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanol
CID 61254539
4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202250
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210024
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109213833
[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107274667
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109209427
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 114215376
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
N-[2-(2-fluorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109214008
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole (CID 61254888) is 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1c1ccnc(CCl)c1.
What is the InChIKey of 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole?
The InChIKey is IMFTYFJFTGTUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-11-8-12-4-2-3-5-15(12)18(11)14-6-7-17-13(9-14)10-16/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole?
1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole has a molecular weight of 258.75 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 61254888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).