4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine

C13H17ClF3NO — CID 121387809

IUPAC4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCCc1nc(C(C)C)cc(Cl)c1OC(C)C(F)(F)F
InChIInChI=1S/C13H17ClF3NO/c1-5-10-12(19-8(4)13(15,16)17)9(14)6-11(18-10)7(2)3/h6-8H,5H2,1-4H3
InChIKeyMQSZDXBYYCALHU-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.75
Rot. Bonds4

About 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine

4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 121387809) has the molecular formula C13H17ClF3NO and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine
PubChem CID121387809
Molecular FormulaC13H17ClF3NO
Molecular Weight295.73 g/mol
Exact Mass295.10
IUPAC Name4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCCc1nc(C(C)C)cc(Cl)c1OC(C)C(F)(F)F
InChIInChI=1S/C13H17ClF3NO/c1-5-10-12(19-8(4)13(15,16)17)9(14)6-11(18-10)7(2)3/h6-8H,5H2,1-4H3
InChIKeyMQSZDXBYYCALHU-UHFFFAOYSA-N
XLogP4.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine
CID 102361414
4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethoxy)pyridine
CID 18629348
2-Chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine
CID 21104778
2-Chloro-3-methoxy-6-(trifluoromethyl)pyridine
CID 46318009
4-Chloro-2-propan-2-yl-5-(trifluoromethoxy)pyridine
CID 60041795
(Z)-3-[2,6-di(propan-2-yl)-3-(2,2,2-trifluoroethoxy)pyridin-4-yl]but-2-enal
CID 60131355
(Z)-3-[3-(2,2-difluoroethoxy)-2,6-di(propan-2-yl)pyridin-4-yl]but-2-enal
CID 60131359
(Z)-3-[2,6-di(propan-2-yl)-3-(2,2,2-trifluoroethoxy)-4-pyridinyl]but-2-en-1-ol
CID 67551491
3-[2,6-Di(propan-2-yl)-3-(2,2,2-trifluoroethoxy)-4-pyridinyl]but-2-enal
CID 72658670
3-[3-(2,2-Difluoroethoxy)-2,6-di(propan-2-yl)-4-pyridinyl]but-2-enal
CID 72658672
3-[2,6-Di(propan-2-yl)-3-(2,2,2-trifluoroethoxy)-4-pyridinyl]but-2-en-1-ol
CID 77311443
2-(4-Chloro-3-difluoromethoxy-2-pyridyl)-2-cyclopropyl-1-methoxyethene
CID 86586470

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The IUPAC name of 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 121387809) is 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The canonical SMILES for 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine is CCc1nc(C(C)C)cc(Cl)c1OC(C)C(F)(F)F.
What is the InChIKey of 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The InChIKey is MQSZDXBYYCALHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NO/c1-5-10-12(19-8(4)13(15,16)17)9(14)6-11(18-10)7(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine?
4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 295.73 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-propan-2-yl-3-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 121387809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).