2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine

C15H15ClFNO — CID 79728002

IUPAC2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine
SMILESCC(C)(C)c1ccccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-15(2,3)11-6-4-5-7-13(11)19-14-12(17)8-10(16)9-18-14/h4-9H,1-3H3
InChIKeyDVUACUKPMMOIDU-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.96
Rot. Bonds2

About 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine

2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine (PubChem CID 79728002) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine
PubChem CID79728002
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine
SMILESCC(C)(C)c1ccccc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-15(2,3)11-6-4-5-7-13(11)19-14-12(17)8-10(16)9-18-14/h4-9H,1-3H3
InChIKeyDVUACUKPMMOIDU-UHFFFAOYSA-N
XLogP4.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine 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

2-(2-tert-butyl-4-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727805
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine
CID 79727918
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
5-chloro-3-fluoro-2-(2-phenylphenoxy)pyridine
CID 79713542
2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
CID 63446144
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine
CID 150360287
5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine
CID 166728803
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
5-[2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-3-(difluoromethyl)-1,2-oxazole
CID 146976068
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine?
The IUPAC name of 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine (CID 79728002) is 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine is CC(C)(C)c1ccccc1Oc1ncc(Cl)cc1F.
What is the InChIKey of 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine?
The InChIKey is DVUACUKPMMOIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-15(2,3)11-6-4-5-7-13(11)19-14-12(17)8-10(16)9-18-14/h4-9H,1-3H3.
What are the key properties of 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine?
2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine has a molecular weight of 279.74 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine is sourced from PubChem (CID 79728002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).