3,4-dimethyl-1H-indeno[2,1-b]pyridine

C14H13N — CID 123647223

IUPAC3,4-dimethyl-1H-indeno[2,1-b]pyridine
SMILESCc1c[nH]c2cc3ccccc3c-2c1C
InChIInChI=1S/C14H13N/c1-9-8-15-13-7-11-5-3-4-6-12(11)14(13)10(9)2/h3-8,15H,1-2H3
InChIKeyVXNPDFJXXOUFKX-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.89
Rot. Bonds

About 3,4-dimethyl-1H-indeno[2,1-b]pyridine

3,4-dimethyl-1H-indeno[2,1-b]pyridine (PubChem CID 123647223) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,4-dimethyl-1H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name3,4-dimethyl-1H-indeno[2,1-b]pyridine
PubChem CID123647223
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name3,4-dimethyl-1H-indeno[2,1-b]pyridine
SMILESCc1c[nH]c2cc3ccccc3c-2c1C
InChIInChI=1S/C14H13N/c1-9-8-15-13-7-11-5-3-4-6-12(11)14(13)10(9)2/h3-8,15H,1-2H3
InChIKeyVXNPDFJXXOUFKX-UHFFFAOYSA-N
XLogP3.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-indeno[2,1-b]pyridine?
The IUPAC name of 3,4-dimethyl-1H-indeno[2,1-b]pyridine (CID 123647223) is 3,4-dimethyl-1H-indeno[2,1-b]pyridine.
What is the SMILES notation for 3,4-dimethyl-1H-indeno[2,1-b]pyridine?
The canonical SMILES for 3,4-dimethyl-1H-indeno[2,1-b]pyridine is Cc1c[nH]c2cc3ccccc3c-2c1C.
What is the InChIKey of 3,4-dimethyl-1H-indeno[2,1-b]pyridine?
The InChIKey is VXNPDFJXXOUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-9-8-15-13-7-11-5-3-4-6-12(11)14(13)10(9)2/h3-8,15H,1-2H3.
What are the key properties of 3,4-dimethyl-1H-indeno[2,1-b]pyridine?
3,4-dimethyl-1H-indeno[2,1-b]pyridine has a molecular weight of 195.26 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-indeno[2,1-b]pyridine is sourced from PubChem (CID 123647223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).