5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine

C15H14ClNO2 — CID 66234792

IUPAC5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
SMILESCC1(C)Cc2cccc(Oc3ccc(Cl)cn3)c2O1
InChIInChI=1S/C15H14ClNO2/c1-15(2)8-10-4-3-5-12(14(10)19-15)18-13-7-6-11(16)9-17-13/h3-7,9H,8H2,1-2H3
InChIKeyJOBABEKZGSVWDE-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.24
Rot. Bonds2

About 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine

5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine (PubChem CID 66234792) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
PubChem CID66234792
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
SMILESCC1(C)Cc2cccc(Oc3ccc(Cl)cn3)c2O1
InChIInChI=1S/C15H14ClNO2/c1-15(2)8-10-4-3-5-12(14(10)19-15)18-13-7-6-11(16)9-17-13/h3-7,9H,8H2,1-2H3
InChIKeyJOBABEKZGSVWDE-UHFFFAOYSA-N
XLogP4.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
CID 16789396
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-iodopyrimidine
CID 113459432
[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridazin-3-yl]methanamine
CID 62298154
[5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanol
CID 114846015
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679540
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62297979
3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]aniline
CID 13246036
(NZ)-N-[3,4-dihydro-2H-quinolin-1-yl-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-pyridinyl]methylidene]hydroxylamine
CID 56678678
4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
CID 79256209
5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine
CID 61227523
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine
CID 80865011

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine?
The IUPAC name of 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine (CID 66234792) is 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine.
What is the SMILES notation for 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine?
The canonical SMILES for 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine is CC1(C)Cc2cccc(Oc3ccc(Cl)cn3)c2O1.
What is the InChIKey of 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine?
The InChIKey is JOBABEKZGSVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-15(2)8-10-4-3-5-12(14(10)19-15)18-13-7-6-11(16)9-17-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine?
5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine has a molecular weight of 275.74 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine is sourced from PubChem (CID 66234792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).