4,5-difluoro-2-propan-2-ylpyridine

C8H9F2N — CID 170611007

IUPAC4,5-difluoro-2-propan-2-ylpyridine
SMILESCC(C)c1cc(F)c(F)cn1
InChIInChI=1S/C8H9F2N/c1-5(2)8-3-6(9)7(10)4-11-8/h3-5H,1-2H3
InChIKeyCATXKOAAKFLHRO-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.48
Rot. Bonds1

About 4,5-difluoro-2-propan-2-ylpyridine

4,5-difluoro-2-propan-2-ylpyridine (PubChem CID 170611007) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 4,5-difluoro-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4,5-difluoro-2-propan-2-ylpyridine
PubChem CID170611007
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name4,5-difluoro-2-propan-2-ylpyridine
SMILESCC(C)c1cc(F)c(F)cn1
InChIInChI=1S/C8H9F2N/c1-5(2)8-3-6(9)7(10)4-11-8/h3-5H,1-2H3
InChIKeyCATXKOAAKFLHRO-UHFFFAOYSA-N
XLogP2.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-5-fluoro-2-propan-2-ylpyridine
CID 130153353
4-fluoro-5-(4-fluorophenoxy)-2-propan-2-ylpyridine
CID 165098349
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
6-propan-2-ylpyridine-3,4-diamine
CID 22380346
4-fluoro-2-propan-2-ylpyridine;methane
CID 162074293
2,3-difluoro-5-propan-2-ylpyrazine
CID 163298620
2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
CID 167631369
4-chloro-6-propan-2-ylpyridin-3-ol
CID 137430769
6-propan-2-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 134456134
2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine
CID 171735434
2-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 137409509
[4-(difluoromethyl)-6-propan-2-yl-3-pyridinyl]methanamine
CID 84669445

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-propan-2-ylpyridine?
The IUPAC name of 4,5-difluoro-2-propan-2-ylpyridine (CID 170611007) is 4,5-difluoro-2-propan-2-ylpyridine.
What is the SMILES notation for 4,5-difluoro-2-propan-2-ylpyridine?
The canonical SMILES for 4,5-difluoro-2-propan-2-ylpyridine is CC(C)c1cc(F)c(F)cn1.
What is the InChIKey of 4,5-difluoro-2-propan-2-ylpyridine?
The InChIKey is CATXKOAAKFLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-5(2)8-3-6(9)7(10)4-11-8/h3-5H,1-2H3.
What are the key properties of 4,5-difluoro-2-propan-2-ylpyridine?
4,5-difluoro-2-propan-2-ylpyridine has a molecular weight of 157.16 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-propan-2-ylpyridine is sourced from PubChem (CID 170611007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).