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

C16H16ClNO2 — CID 79256209

IUPAC4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
SMILESCC1(C)Cc2cccc(OCc3cc(Cl)ccn3)c2O1
InChIInChI=1S/C16H16ClNO2/c1-16(2)9-11-4-3-5-14(15(11)20-16)19-10-13-8-12(17)6-7-18-13/h3-8H,9-10H2,1-2H3
InChIKeyMSFPAJAKKVBCIY-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine

4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine (PubChem CID 79256209) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
PubChem CID79256209
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
SMILESCC1(C)Cc2cccc(OCc3cc(Cl)ccn3)c2O1
InChIInChI=1S/C16H16ClNO2/c1-16(2)9-11-4-3-5-14(15(11)20-16)19-10-13-8-12(17)6-7-18-13/h3-8H,9-10H2,1-2H3
InChIKeyMSFPAJAKKVBCIY-UHFFFAOYSA-N
XLogP4.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine?
The IUPAC name of 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine (CID 79256209) is 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine?
The canonical SMILES for 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine is CC1(C)Cc2cccc(OCc3cc(Cl)ccn3)c2O1.
What is the InChIKey of 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine?
The InChIKey is MSFPAJAKKVBCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-16(2)9-11-4-3-5-14(15(11)20-16)19-10-13-8-12(17)6-7-18-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine?
4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine has a molecular weight of 289.76 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine is sourced from PubChem (CID 79256209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).