4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine

C14H9F2N3 — CID 58672263

IUPAC4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
SMILESFc1ccnc(-c2ccc(-c3cc(F)ccn3)[nH]2)c1
InChIInChI=1S/C14H9F2N3/c15-9-3-5-17-13(7-9)11-1-2-12(19-11)14-8-10(16)4-6-18-14/h1-8,19H
InChIKeyCYRULSSOCXWADY-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.42
Rot. Bonds2

About 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine

4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 58672263) has the molecular formula C14H9F2N3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
PubChem CID58672263
Molecular FormulaC14H9F2N3
Molecular Weight257.24 g/mol
Exact Mass257.08
IUPAC Name4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
SMILESFc1ccnc(-c2ccc(-c3cc(F)ccn3)[nH]2)c1
InChIInChI=1S/C14H9F2N3/c15-9-3-5-17-13(7-9)11-1-2-12(19-11)14-8-10(16)4-6-18-14/h1-8,19H
InChIKeyCYRULSSOCXWADY-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine (CID 58672263) is 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine is Fc1ccnc(-c2ccc(-c3cc(F)ccn3)[nH]2)c1.
What is the InChIKey of 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is CYRULSSOCXWADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3/c15-9-3-5-17-13(7-9)11-1-2-12(19-11)14-8-10(16)4-6-18-14/h1-8,19H.
What are the key properties of 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine?
4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 257.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 58672263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).