2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine

C12H10F2N2 — CID 143949398

IUPAC2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine
SMILESC=C(C)c1c[nH]c(-c2cccnc2F)c1F
InChIInChI=1S/C12H10F2N2/c1-7(2)9-6-16-11(10(9)13)8-4-3-5-15-12(8)14/h3-6,16H,1H2,2H3
InChIKeyRYNMKJISEHQAOM-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.39
Rot. Bonds2

About 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine

2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine (PubChem CID 143949398) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine
PubChem CID143949398
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine
SMILESC=C(C)c1c[nH]c(-c2cccnc2F)c1F
InChIInChI=1S/C12H10F2N2/c1-7(2)9-6-16-11(10(9)13)8-4-3-5-15-12(8)14/h3-6,16H,1H2,2H3
InChIKeyRYNMKJISEHQAOM-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine?
The IUPAC name of 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine (CID 143949398) is 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine is C=C(C)c1c[nH]c(-c2cccnc2F)c1F.
What is the InChIKey of 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine?
The InChIKey is RYNMKJISEHQAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c1-7(2)9-6-16-11(10(9)13)8-4-3-5-15-12(8)14/h3-6,16H,1H2,2H3.
What are the key properties of 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine?
2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine has a molecular weight of 220.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(3-fluoro-4-prop-1-en-2-yl-1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 143949398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).