3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine

C10H10Cl2F3NO — CID 63205098

IUPAC3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
SMILESCOCC(Cl)Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3NO/c1-17-5-7(11)3-9-8(12)2-6(4-16-9)10(13,14)15/h2,4,7H,3,5H2,1H3
InChIKeyIMLNSJFCDACXSR-UHFFFAOYSA-N
MW288.10 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine

3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine (PubChem CID 63205098) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
PubChem CID63205098
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC Name3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
SMILESCOCC(Cl)Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10Cl2F3NO/c1-17-5-7(11)3-9-8(12)2-6(4-16-9)10(13,14)15/h2,4,7H,3,5H2,1H3
InChIKeyIMLNSJFCDACXSR-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
CID 3803727
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106181945
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-(methylamino)-3-oxopropoxy]benzamide
CID 87526451
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxyethyl]-2-(trifluoromethyl)benzamide
CID 86732539

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine (CID 63205098) is 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine is COCC(Cl)Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine?
The InChIKey is IMLNSJFCDACXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO/c1-17-5-7(11)3-9-8(12)2-6(4-16-9)10(13,14)15/h2,4,7H,3,5H2,1H3.
What are the key properties of 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine has a molecular weight of 288.10 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 63205098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).