5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine

C10H11ClF3NO — CID 81233559

IUPAC5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCc1cc(OC(C)C(F)(F)F)c(CCl)cn1
InChIInChI=1S/C10H11ClF3NO/c1-6-3-9(8(4-11)5-15-6)16-7(2)10(12,13)14/h3,5,7H,4H2,1-2H3
InChIKeyKZVCFMRDMDFECH-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.46
Rot. Bonds3

About 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine

5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 81233559) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
PubChem CID81233559
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCc1cc(OC(C)C(F)(F)F)c(CCl)cn1
InChIInChI=1S/C10H11ClF3NO/c1-6-3-9(8(4-11)5-15-6)16-7(2)10(12,13)14/h3,5,7H,4H2,1-2H3
InChIKeyKZVCFMRDMDFECH-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.46
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

4-Methoxy-2,3,5-trimethylpyridine
CID 127899
2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride
CID 11694258
(2S)-4-chloro-N,N-dimethyl-1-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butan-2-amine
CID 44340842
2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine
CID 819992
2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride
CID 16217647
4-(2,2,3,3,4,4,4-Heptafluorobutoxy)-1,2-dimethylpyridin-1-ium
CID 71343175
3-Methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 162700532
2-Chloromethyl-4-methoxy-pyridine
CID 10487136
2-(Chloromethyl)-4-methoxypyridine hydrochloride
CID 13923368
2-Ethenyl-4-methoxypyridine
CID 18689411
2-Chloromethyl-4-(3-methoxypropoxy)-3-methylpyridine hydrochloride
CID 18792742
5-(Chloromethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 21698296

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 81233559) is 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine is Cc1cc(OC(C)C(F)(F)F)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The InChIKey is KZVCFMRDMDFECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-6-3-9(8(4-11)5-15-6)16-7(2)10(12,13)14/h3,5,7H,4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 253.65 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-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 81233559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).