(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol

C15H12ClNO2 — CID 114724795

IUPAC(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2cc3cccc(Cl)c3o2)cn1
InChIInChI=1S/C15H12ClNO2/c1-9-5-6-11(8-17-9)14(18)13-7-10-3-2-4-12(16)15(10)19-13/h2-8,14,18H,1H3
InChIKeyNXJOSTOVTBEPOJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.87
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol

(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 114724795) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID114724795
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2cc3cccc(Cl)c3o2)cn1
InChIInChI=1S/C15H12ClNO2/c1-9-5-6-11(8-17-9)14(18)13-7-10-3-2-4-12(16)15(10)19-13/h2-8,14,18H,1H3
InChIKeyNXJOSTOVTBEPOJ-UHFFFAOYSA-N
XLogP3.87
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
(7-chloro-1-benzofuran-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105130423
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 114723619
(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
CID 114724261
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758
(7-chloro-1-benzofuran-2-yl)-(3-ethoxyphenyl)methanol
CID 114723288
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114724689
(7-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103408290
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115837454
(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol (CID 114724795) is (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)c2cc3cccc(Cl)c3o2)cn1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is NXJOSTOVTBEPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-9-5-6-11(8-17-9)14(18)13-7-10-3-2-4-12(16)15(10)19-13/h2-8,14,18H,1H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 273.72 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 114724795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).