3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine

C12H13ClN2 — CID 91672389

IUPAC3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine
SMILESCCn1c(C)cc(Cl)c1-c1cccnc1
InChIInChI=1S/C12H13ClN2/c1-3-15-9(2)7-11(13)12(15)10-5-4-6-14-8-10/h4-8H,3H2,1-2H3
InChIKeyDEKITQMMXZSBIJ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.53
Rot. Bonds2

About 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine

3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine (PubChem CID 91672389) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine.

Molecular Properties

Compound Name3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine
PubChem CID91672389
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine
SMILESCCn1c(C)cc(Cl)c1-c1cccnc1
InChIInChI=1S/C12H13ClN2/c1-3-15-9(2)7-11(13)12(15)10-5-4-6-14-8-10/h4-8H,3H2,1-2H3
InChIKeyDEKITQMMXZSBIJ-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine?
The IUPAC name of 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine (CID 91672389) is 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine.
What is the SMILES notation for 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine?
The canonical SMILES for 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine is CCn1c(C)cc(Cl)c1-c1cccnc1.
What is the InChIKey of 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine?
The InChIKey is DEKITQMMXZSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-3-15-9(2)7-11(13)12(15)10-5-4-6-14-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine?
3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine has a molecular weight of 220.70 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1-ethyl-5-methylpyrrol-2-yl)pyridine is sourced from PubChem (CID 91672389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).