2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine

C13H14F2N2 — CID 177234906

IUPAC2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine
SMILESCCc1c(-c2ccc(C)cn2)ccn1C(F)F
InChIInChI=1S/C13H14F2N2/c1-3-12-10(6-7-17(12)13(14)15)11-5-4-9(2)8-16-11/h4-8,13H,3H2,1-2H3
InChIKeyQVXCOLQDICNIBQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.82
Rot. Bonds3

About 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine

2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine (PubChem CID 177234906) has the molecular formula C13H14F2N2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine
PubChem CID177234906
Molecular FormulaC13H14F2N2
Molecular Weight236.27 g/mol
Exact Mass236.11
IUPAC Name2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine
SMILESCCc1c(-c2ccc(C)cn2)ccn1C(F)F
InChIInChI=1S/C13H14F2N2/c1-3-12-10(6-7-17(12)13(14)15)11-5-4-9(2)8-16-11/h4-8,13H,3H2,1-2H3
InChIKeyQVXCOLQDICNIBQ-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine?
The IUPAC name of 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine (CID 177234906) is 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine.
What is the SMILES notation for 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine?
The canonical SMILES for 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine is CCc1c(-c2ccc(C)cn2)ccn1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine?
The InChIKey is QVXCOLQDICNIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-3-12-10(6-7-17(12)13(14)15)11-5-4-9(2)8-16-11/h4-8,13H,3H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine?
2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine has a molecular weight of 236.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-2-ethylpyrrol-3-yl]-5-methylpyridine is sourced from PubChem (CID 177234906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).