3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

C8H3BrF7N — CID 138396389

IUPAC3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFC(F)(F)C(F)(c1cncc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H3BrF7N/c9-5-1-4(2-17-3-5)6(10,7(11,12)13)8(14,15)16/h1-3H
InChIKeySHNGPLQIBLIMHR-UHFFFAOYSA-N
MW326.01 g/mol
LogP4.13
Rot. Bonds1

About 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (PubChem CID 138396389) has the molecular formula C8H3BrF7N and a molecular weight of 326.01 g/mol. Its IUPAC name is 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
PubChem CID138396389
Molecular FormulaC8H3BrF7N
Molecular Weight326.01 g/mol
Exact Mass324.93
IUPAC Name3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFC(F)(F)C(F)(c1cncc(Br)c1)C(F)(F)F
InChIInChI=1S/C8H3BrF7N/c9-5-1-4(2-17-3-5)6(10,7(11,12)13)8(14,15)16/h1-3H
InChIKeySHNGPLQIBLIMHR-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.01
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-(2-fluoropropan-2-yl)pyridine
CID 131618037
1,3-dibromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 91107676
1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol
CID 151263552
1,3-dibromo-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)benzene
CID 87301204
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
CID 59250866
1-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)benzene
CID 154685385
CID 123329918
CID 123329918
3-bromo-5-(1,2,2,2-tetrafluoroethoxy)pyridine
CID 175443421
3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine
CID 158842641
2-(5-bromo-3-pyridinyl)-3-(trifluoromethyl)-1H-indole
CID 58215716
5-bromopyridin-3-ol
CID 599529

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The IUPAC name of 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (CID 138396389) is 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The canonical SMILES for 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is FC(F)(F)C(F)(c1cncc(Br)c1)C(F)(F)F.
What is the InChIKey of 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The InChIKey is SHNGPLQIBLIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF7N/c9-5-1-4(2-17-3-5)6(10,7(11,12)13)8(14,15)16/h1-3H.
What are the key properties of 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine has a molecular weight of 326.01 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is sourced from PubChem (CID 138396389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).