2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine

C14H9ClF3NO — CID 102716482

IUPAC2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H9ClF3NO/c15-13-7-10(14(16,17)18)6-11(19-13)8-1-2-12-9(5-8)3-4-20-12/h1-2,5-7H,3-4H2
InChIKeyPRYAMBDKTMPTRW-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.36
Rot. Bonds1

About 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine

2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine (PubChem CID 102716482) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
PubChem CID102716482
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H9ClF3NO/c15-13-7-10(14(16,17)18)6-11(19-13)8-1-2-12-9(5-8)3-4-20-12/h1-2,5-7H,3-4H2
InChIKeyPRYAMBDKTMPTRW-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521391
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
7-chloro-3-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428831
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-propylpyrimidine
CID 43804058
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 116861912
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
2-chloro-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine
CID 102716375
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine (CID 102716482) is 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is PRYAMBDKTMPTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-13-7-10(14(16,17)18)6-11(19-13)8-1-2-12-9(5-8)3-4-20-12/h1-2,5-7H,3-4H2.
What are the key properties of 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 299.68 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).