3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine

C17H14F2N2 — CID 176620589

IUPAC3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine
SMILESFc1cncc(Cc2ccn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C17H14F2N2/c18-16-8-14(9-20-10-16)7-13-5-6-21(11-13)12-15-3-1-2-4-17(15)19/h1-6,8-11H,7,12H2
InChIKeyFOOXDUQSMRMSHX-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.80
Rot. Bonds4

About 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine

3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine (PubChem CID 176620589) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine
PubChem CID176620589
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine
SMILESFc1cncc(Cc2ccn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C17H14F2N2/c18-16-8-14(9-20-10-16)7-13-5-6-21(11-13)12-15-3-1-2-4-17(15)19/h1-6,8-11H,7,12H2
InChIKeyFOOXDUQSMRMSHX-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine?
The IUPAC name of 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine (CID 176620589) is 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine.
What is the SMILES notation for 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine?
The canonical SMILES for 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine is Fc1cncc(Cc2ccn(Cc3ccccc3F)c2)c1.
What is the InChIKey of 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine?
The InChIKey is FOOXDUQSMRMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-16-8-14(9-20-10-16)7-13-5-6-21(11-13)12-15-3-1-2-4-17(15)19/h1-6,8-11H,7,12H2.
What are the key properties of 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine?
3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine has a molecular weight of 284.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methyl]pyridine is sourced from PubChem (CID 176620589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).