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

C15H10ClNO2 — CID 106754789

IUPAC(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cc3cc(Cl)ccc3o2)ccn1
InChIInChI=1S/C15H10ClNO2/c1-9-6-10(4-5-17-9)15(18)14-8-11-7-12(16)2-3-13(11)19-14/h2-8H,1H3
InChIKeyDTHDGITZUXGYJH-UHFFFAOYSA-N
MW271.70 g/mol
LogP4.02
Rot. Bonds2

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

(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 106754789) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
PubChem CID106754789
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2cc3cc(Cl)ccc3o2)ccn1
InChIInChI=1S/C15H10ClNO2/c1-9-6-10(4-5-17-9)15(18)14-8-11-7-12(16)2-3-13(11)19-14/h2-8H,1H3
InChIKeyDTHDGITZUXGYJH-UHFFFAOYSA-N
XLogP4.02
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 25481768
(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 114737396
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
N-[1-[4-(5-chloro-1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17496216

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone (CID 106754789) is (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)c2cc3cc(Cl)ccc3o2)ccn1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is DTHDGITZUXGYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-9-6-10(4-5-17-9)15(18)14-8-11-7-12(16)2-3-13(11)19-14/h2-8H,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone?
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 271.70 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106754789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).