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

C14H9ClFNO2 — CID 114727131

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1ccncc1F
InChIInChI=1S/C14H9ClFNO2/c15-9-1-2-12-8(5-9)6-13(19-12)14(18)10-3-4-17-7-11(10)16/h1-7,14,18H
InChIKeyWEAYFCOULOYICI-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.70
Rot. Bonds2

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

(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 114727131) has the molecular formula C14H9ClFNO2 and a molecular weight of 277.68 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID114727131
Molecular FormulaC14H9ClFNO2
Molecular Weight277.68 g/mol
Exact Mass277.03
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1ccncc1F
InChIInChI=1S/C14H9ClFNO2/c15-9-1-2-12-8(5-9)6-13(19-12)14(18)10-3-4-17-7-11(10)16/h1-7,14,18H
InChIKeyWEAYFCOULOYICI-UHFFFAOYSA-N
XLogP3.70
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727129
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
CID 105185666
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114726981
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(3-chloro-5-fluorophenyl)methanol
CID 114724925
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(5-bromo-3-pyridinyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 114724822
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol (CID 114727131) is (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol is OC(c1cc2cc(Cl)ccc2o1)c1ccncc1F.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is WEAYFCOULOYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO2/c15-9-1-2-12-8(5-9)6-13(19-12)14(18)10-3-4-17-7-11(10)16/h1-7,14,18H.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 277.68 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 114727131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).