2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole

C15H15ClN2 — CID 126572813

IUPAC2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole
SMILESCc1cc(Cl)nc(CN2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15ClN2/c1-11-6-14(17-15(16)7-11)10-18-8-12-4-2-3-5-13(12)9-18/h2-7H,8-10H2,1H3
InChIKeyXGGUUASVDOTTJS-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.56
Rot. Bonds2

About 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole

2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole (PubChem CID 126572813) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole
PubChem CID126572813
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole
SMILESCc1cc(Cl)nc(CN2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15ClN2/c1-11-6-14(17-15(16)7-11)10-18-8-12-4-2-3-5-13(12)9-18/h2-7H,8-10H2,1H3
InChIKeyXGGUUASVDOTTJS-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole (CID 126572813) is 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole is Cc1cc(Cl)nc(CN2Cc3ccccc3C2)c1.
What is the InChIKey of 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole?
The InChIKey is XGGUUASVDOTTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-11-6-14(17-15(16)7-11)10-18-8-12-4-2-3-5-13(12)9-18/h2-7H,8-10H2,1H3.
What are the key properties of 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole?
2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole has a molecular weight of 258.75 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 126572813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).