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

C15H12ClNO2 — CID 114726543

IUPAC(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
SMILESCc1ccnc(C(O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO2/c1-9-4-5-17-12(6-9)15(18)14-8-10-7-11(16)2-3-13(10)19-14/h2-8,15,18H,1H3
InChIKeyPZCRHXBRTPVFDF-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.87
Rot. Bonds2

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

(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol (PubChem CID 114726543) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
PubChem CID114726543
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
SMILESCc1ccnc(C(O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO2/c1-9-4-5-17-12(6-9)15(18)14-8-10-7-11(16)2-3-13(10)19-14/h2-8,15,18H,1H3
InChIKeyPZCRHXBRTPVFDF-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

(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114726981
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(5-chloro-1-benzofuran-2-yl)-(6-chloro-3-pyridinyl)methanol
CID 114727055
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanol
CID 114724539
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105129403

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol (CID 114726543) is (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol is Cc1ccnc(C(O)c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol?
The InChIKey is PZCRHXBRTPVFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-9-4-5-17-12(6-9)15(18)14-8-10-7-11(16)2-3-13(10)19-14/h2-8,15,18H,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-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 (5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 114726543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).