4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine

C11H12N2 — CID 121217815

IUPAC4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine
SMILESCc1c[nH]c(-c2ccncc2)c1C
InChIInChI=1S/C11H12N2/c1-8-7-13-11(9(8)2)10-3-5-12-6-4-10/h3-7,13H,1-2H3
InChIKeySVSWLLHAFWTYED-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.69
Rot. Bonds1

About 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine

4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine (PubChem CID 121217815) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine
PubChem CID121217815
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine
SMILESCc1c[nH]c(-c2ccncc2)c1C
InChIInChI=1S/C11H12N2/c1-8-7-13-11(9(8)2)10-3-5-12-6-4-10/h3-7,13H,1-2H3
InChIKeySVSWLLHAFWTYED-UHFFFAOYSA-N
XLogP2.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole
CID 102257095
ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 134861602
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
ethane;4-pyridin-4-ylpyridine
CID 142013036
2,5-dimethyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515530
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
gold;4-pyridin-4-ylpyridine
CID 159917709
2-ethyl-5-methyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515497
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 143713533
6-chloro-7-methyl-2-pyridin-4-yl-1H-indole-3-carbaldehyde
CID 3786760
4-(2-methylphenyl)pyridine;hydroiodide
CID 175234022
2,4-dimethyl-3-pyridin-4-ylpyridine
CID 90999658

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine?
The IUPAC name of 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine (CID 121217815) is 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine is Cc1c[nH]c(-c2ccncc2)c1C.
What is the InChIKey of 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine?
The InChIKey is SVSWLLHAFWTYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-7-13-11(9(8)2)10-3-5-12-6-4-10/h3-7,13H,1-2H3.
What are the key properties of 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine?
4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 121217815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).