5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine

C12H11Cl2N — CID 139324957

IUPAC5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine
SMILESCC1=C2C(Cl)=C=CC(Cl)=CC2=NCC1C
InChIInChI=1S/C12H11Cl2N/c1-7-6-15-11-5-9(13)3-4-10(14)12(11)8(7)2/h3,5,7H,6H2,1-2H3
InChIKeyLYBFATBQWXNWTD-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.81
Rot. Bonds

About 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine

5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine (PubChem CID 139324957) has the molecular formula C12H11Cl2N and a molecular weight of 240.13 g/mol. Its IUPAC name is 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine
PubChem CID139324957
Molecular FormulaC12H11Cl2N
Molecular Weight240.13 g/mol
Exact Mass239.03
IUPAC Name5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine
SMILESCC1=C2C(Cl)=C=CC(Cl)=CC2=NCC1C
InChIInChI=1S/C12H11Cl2N/c1-7-6-15-11-5-9(13)3-4-10(14)12(11)8(7)2/h3,5,7H,6H2,1-2H3
InChIKeyLYBFATBQWXNWTD-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine?
The IUPAC name of 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine (CID 139324957) is 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine.
What is the SMILES notation for 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine?
The canonical SMILES for 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine is CC1=C2C(Cl)=C=CC(Cl)=CC2=NCC1C.
What is the InChIKey of 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine?
The InChIKey is LYBFATBQWXNWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N/c1-7-6-15-11-5-9(13)3-4-10(14)12(11)8(7)2/h3,5,7H,6H2,1-2H3.
What are the key properties of 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine?
5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine has a molecular weight of 240.13 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-3,4-dimethyl-2,3-dihydrocyclohepta[b]pyridine is sourced from PubChem (CID 139324957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).