2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine

C96H117F15N12 — CID 158598116

IUPAC2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine
SMILESCC(C)c1c(F)ccnc1F.CC(C)c1cc(F)ccn1.CC(C)c1cc(F)nc(F)c1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1F.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(F)c1F.CC(C)c1ccncc1F.CC(C)c1cncc(F)c1.CC(C)c1cnccc1F.CC(C)c1ncccc1F
InChIInChI=1S/3C8H9F2N.9C8H10FN/c1-5(2)6-3-7(9)11-8(10)4-6;1-5(2)7-6(9)3-4-11-8(7)10;1-5(2)6-3-4-11-8(10)7(6)9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h3*3-5H,1-2H3;9*3-6H,1-2H3
InChIKeyHVHBQZPYSCOKME-UHFFFAOYSA-N
MW1724.05 g/mol
LogP28.55
Rot. Bonds12

About 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine

2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine (PubChem CID 158598116) has the molecular formula C96H117F15N12 and a molecular weight of 1724.05 g/mol. Its IUPAC name is 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine
PubChem CID158598116
Molecular FormulaC96H117F15N12
Molecular Weight1724.05 g/mol
Exact Mass1722.93
IUPAC Name2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine
SMILESCC(C)c1c(F)ccnc1F.CC(C)c1cc(F)ccn1.CC(C)c1cc(F)nc(F)c1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1F.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(F)c1F.CC(C)c1ccncc1F.CC(C)c1cncc(F)c1.CC(C)c1cnccc1F.CC(C)c1ncccc1F
InChIInChI=1S/3C8H9F2N.9C8H10FN/c1-5(2)6-3-7(9)11-8(10)4-6;1-5(2)7-6(9)3-4-11-8(7)10;1-5(2)6-3-4-11-8(10)7(6)9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h3*3-5H,1-2H3;9*3-6H,1-2H3
InChIKeyHVHBQZPYSCOKME-UHFFFAOYSA-N
XLogP28.55
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.05
LogP ≤ 528.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
CID 159524432
2-(1-fluoroethyl)-4-propan-2-ylpyridine;3-fluoro-2-(1-fluoroethyl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;methane;2-methyl-4-propan-2-ylpyridine
CID 160899457
2-chloro-6-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 158940214
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
2-chloro-5-propan-2-ylpyrazine;4-deuterio-2-propan-2-ylpyridine;5-deuterio-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylpyridazine;4-propan-2-ylpyridine
CID 161359875
1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine
CID 161335876
4-fluoro-2-propan-2-ylpyridine;methane
CID 162074293
N,N-dimethyl-4-propan-2-ylpyridin-2-amine;3-fluoro-2-methyl-4-propan-2-ylpyridine
CID 176692961
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
2,5-di(propan-2-yl)pyridine;2-fluoro-1,4-di(propan-2-yl)benzene
CID 167631369
2,3-difluoropyridine;2,6-difluoropyridine
CID 174955945
2-tert-butyl-4-(18F)fluoropyridine;2-tert-butyl-6-(18F)fluoropyridine;3-tert-butyl-2-(18F)fluoropyridine;3-tert-butyl-4-(18F)fluoropyridine;4-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyridine;5-tert-butyl-2-(18F)fluoropyrimidine;methane
CID 158985938

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine?
The IUPAC name of 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine (CID 158598116) is 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine.
What is the SMILES notation for 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine?
The canonical SMILES for 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine is CC(C)c1c(F)ccnc1F.CC(C)c1cc(F)ccn1.CC(C)c1cc(F)nc(F)c1.CC(C)c1ccc(F)nc1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1F.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(F)c1F.CC(C)c1ccncc1F.CC(C)c1cncc(F)c1.CC(C)c1cnccc1F.CC(C)c1ncccc1F.
What is the InChIKey of 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine?
The InChIKey is HVHBQZPYSCOKME-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H9F2N.9C8H10FN/c1-5(2)6-3-7(9)11-8(10)4-6;1-5(2)7-6(9)3-4-11-8(7)10;1-5(2)6-3-4-11-8(10)7(6)9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h3*3-5H,1-2H3;9*3-6H,1-2H3.
What are the key properties of 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine?
2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine has a molecular weight of 1724.05 g/mol, XLogP of 28.55, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-propan-2-ylpyridine;2,4-difluoro-3-propan-2-ylpyridine;2,6-difluoro-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine is sourced from PubChem (CID 158598116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).