4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine

C17H15ClN2 — CID 21036742

IUPAC4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine
SMILESCc1c(-c2ccncc2)c(-c2ccc(Cl)cc2)cn1C
InChIInChI=1S/C17H15ClN2/c1-12-17(14-7-9-19-10-8-14)16(11-20(12)2)13-3-5-15(18)6-4-13/h3-11H,1-2H3
InChIKeyLRMWLYUTBJMWBI-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.72
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine

4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine (PubChem CID 21036742) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine
PubChem CID21036742
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine
SMILESCc1c(-c2ccncc2)c(-c2ccc(Cl)cc2)cn1C
InChIInChI=1S/C17H15ClN2/c1-12-17(14-7-9-19-10-8-14)16(11-20(12)2)13-3-5-15(18)6-4-13/h3-11H,1-2H3
InChIKeyLRMWLYUTBJMWBI-UHFFFAOYSA-N
XLogP4.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
sodium;5-(4-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid;hydride
CID 173392011
(4-chlorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanone
CID 22574539
ethyl 3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988452
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrol-2-yl]propan-1-one
CID 174486363
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
2-(4-chlorophenyl)-1-methylimidazole-4-thiol
CID 10236124

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine (CID 21036742) is 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine is Cc1c(-c2ccncc2)c(-c2ccc(Cl)cc2)cn1C.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine?
The InChIKey is LRMWLYUTBJMWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12-17(14-7-9-19-10-8-14)16(11-20(12)2)13-3-5-15(18)6-4-13/h3-11H,1-2H3.
What are the key properties of 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine?
4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine has a molecular weight of 282.77 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]pyridine is sourced from PubChem (CID 21036742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).