2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol

C16H13ClFNO2 — CID 105105511

IUPAC2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(O)Cc2ccncc2Cl)oc2ccc(F)cc12
InChIInChI=1S/C16H13ClFNO2/c1-9-12-7-11(18)2-3-15(12)21-16(9)14(20)6-10-4-5-19-8-13(10)17/h2-5,7-8,14,20H,6H2,1H3
InChIKeyZIODAUUUSITWIK-UHFFFAOYSA-N
MW305.74 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol

2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 105105511) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
PubChem CID105105511
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCc1c(C(O)Cc2ccncc2Cl)oc2ccc(F)cc12
InChIInChI=1S/C16H13ClFNO2/c1-9-12-7-11(18)2-3-15(12)21-16(9)14(20)6-10-4-5-19-8-13(10)17/h2-5,7-8,14,20H,6H2,1H3
InChIKeyZIODAUUUSITWIK-UHFFFAOYSA-N
XLogP4.20
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105076751
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(furan-2-yl)ethanol
CID 105122935
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105112280
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine
CID 105160602
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065682
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
CID 105127366
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
CID 105082433
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propoxyethanol
CID 105111899
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (CID 105105511) is 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is Cc1c(C(O)Cc2ccncc2Cl)oc2ccc(F)cc12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is ZIODAUUUSITWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c1-9-12-7-11(18)2-3-15(12)21-16(9)14(20)6-10-4-5-19-8-13(10)17/h2-5,7-8,14,20H,6H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 305.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 105105511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).