5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine

C9H10ClF2NO — CID 176611262

IUPAC5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine
SMILESCC(C)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C9H10ClF2NO/c1-5(2)7-3-6(10)4-13-8(7)14-9(11)12/h3-5,9H,1-2H3
InChIKeyZISXAJDFXKYQJT-UHFFFAOYSA-N
MW221.63 g/mol
LogP3.46
Rot. Bonds3

About 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine

5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine (PubChem CID 176611262) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine
PubChem CID176611262
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine
SMILESCC(C)c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C9H10ClF2NO/c1-5(2)7-3-6(10)4-13-8(7)14-9(11)12/h3-5,9H,1-2H3
InChIKeyZISXAJDFXKYQJT-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
5-Chloro-2-methoxypyridine
CID 4738276
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
3,5-Dichloro-2-methoxypyridine
CID 21354187
2-Methoxy-3-(trifluoromethyl)pyridine
CID 2775309
3-Chloro-2-methoxypyridine
CID 13295749
3-Chloro-2-(propan-2-yloxy)-5-(trifluoromethyl)pyridine
CID 2386954
3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine
CID 2736618
5-(Chloromethyl)-2-methoxy-4-methylpyridine
CID 13449093
5-(Chloromethyl)-2-methoxypyridine
CID 13752891
3-(Chloromethyl)-2-methoxypyridine
CID 14932945
4-(Chloromethyl)-2-methoxypyridine
CID 17948439

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine (CID 176611262) is 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine is CC(C)c1cc(Cl)cnc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine?
The InChIKey is ZISXAJDFXKYQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-5(2)7-3-6(10)4-13-8(7)14-9(11)12/h3-5,9H,1-2H3.
What are the key properties of 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine?
5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine has a molecular weight of 221.63 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine is sourced from PubChem (CID 176611262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).