4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine

C13H15ClN2 — CID 91672383

IUPAC4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine
SMILESCc1cc(Cl)c(-c2ccncc2)n1C(C)C
InChIInChI=1S/C13H15ClN2/c1-9(2)16-10(3)8-12(14)13(16)11-4-6-15-7-5-11/h4-9H,1-3H3
InChIKeyLLRDCJWIQKJNFL-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.09
Rot. Bonds2

About 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine

4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine (PubChem CID 91672383) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine.

Molecular Properties

Compound Name4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine
PubChem CID91672383
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine
SMILESCc1cc(Cl)c(-c2ccncc2)n1C(C)C
InChIInChI=1S/C13H15ClN2/c1-9(2)16-10(3)8-12(14)13(16)11-4-6-15-7-5-11/h4-9H,1-3H3
InChIKeyLLRDCJWIQKJNFL-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine?
The IUPAC name of 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine (CID 91672383) is 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine.
What is the SMILES notation for 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine?
The canonical SMILES for 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine is Cc1cc(Cl)c(-c2ccncc2)n1C(C)C.
What is the InChIKey of 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine?
The InChIKey is LLRDCJWIQKJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9(2)16-10(3)8-12(14)13(16)11-4-6-15-7-5-11/h4-9H,1-3H3.
What are the key properties of 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine?
4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine has a molecular weight of 234.73 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methyl-1-propan-2-ylpyrrol-2-yl)pyridine is sourced from PubChem (CID 91672383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).