3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane

C17H20ClF2NO — CID 143551154

IUPAC3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane
SMILESCCC.Cc1ccc(Oc2ncc(C(C)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H12ClF2NO.C3H8/c1-9-3-5-11(6-4-9)19-13-12(15)7-10(8-18-13)14(2,16)17;1-3-2/h3-8H,1-2H3;3H2,1-2H3
InChIKeyIITGUPCPOQTNFY-UHFFFAOYSA-N
MW327.80 g/mol
LogP6.36
Rot. Bonds3

About 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane

3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane (PubChem CID 143551154) has the molecular formula C17H20ClF2NO and a molecular weight of 327.80 g/mol. Its IUPAC name is 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane.

Molecular Properties

Compound Name3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane
PubChem CID143551154
Molecular FormulaC17H20ClF2NO
Molecular Weight327.80 g/mol
Exact Mass327.12
IUPAC Name3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane
SMILESCCC.Cc1ccc(Oc2ncc(C(C)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H12ClF2NO.C3H8/c1-9-3-5-11(6-4-9)19-13-12(15)7-10(8-18-13)14(2,16)17;1-3-2/h3-8H,1-2H3;3H2,1-2H3
InChIKeyIITGUPCPOQTNFY-UHFFFAOYSA-N
XLogP6.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.80
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
CID 89433011
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 4658635
N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62295657
(5R)-5-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]hexane-2,4-dione
CID 54039823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane?
The IUPAC name of 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane (CID 143551154) is 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane.
What is the SMILES notation for 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane?
The canonical SMILES for 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane is CCC.Cc1ccc(Oc2ncc(C(C)(F)F)cc2Cl)cc1.
What is the InChIKey of 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane?
The InChIKey is IITGUPCPOQTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO.C3H8/c1-9-3-5-11(6-4-9)19-13-12(15)7-10(8-18-13)14(2,16)17;1-3-2/h3-8H,1-2H3;3H2,1-2H3.
What are the key properties of 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane?
3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane has a molecular weight of 327.80 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,1-difluoroethyl)-2-(4-methylphenoxy)pyridine;propane is sourced from PubChem (CID 143551154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).