5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine

C19H15BrF2N2 — CID 159915225

IUPAC5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cncc2F)N1CC
InChIInChI=1S/C19H15BrF2N2/c1-3-24-12(2)15(20)9-14(13-7-5-4-6-8-13)19(24)18-16(21)10-23-11-17(18)22/h4-11H,2-3H2,1H3
InChIKeyGENVZZLWEBKBDC-UHFFFAOYSA-N
MW389.24 g/mol
LogP5.36
Rot. Bonds3

About 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine

5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine (PubChem CID 159915225) has the molecular formula C19H15BrF2N2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
PubChem CID159915225
Molecular FormulaC19H15BrF2N2
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cncc2F)N1CC
InChIInChI=1S/C19H15BrF2N2/c1-3-24-12(2)15(20)9-14(13-7-5-4-6-8-13)19(24)18-16(21)10-23-11-17(18)22/h4-11H,2-3H2,1H3
InChIKeyGENVZZLWEBKBDC-UHFFFAOYSA-N
XLogP5.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine (CID 159915225) is 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine is C=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cncc2F)N1CC.
What is the InChIKey of 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine?
The InChIKey is GENVZZLWEBKBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2N2/c1-3-24-12(2)15(20)9-14(13-7-5-4-6-8-13)19(24)18-16(21)10-23-11-17(18)22/h4-11H,2-3H2,1H3.
What are the key properties of 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine?
5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine has a molecular weight of 389.24 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 159915225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).