(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone

C13H10INO2 — CID 115793494

IUPAC(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2ccccc2I)c1
InChIInChI=1S/C13H10INO2/c1-17-10-6-9(7-15-8-10)13(16)11-4-2-3-5-12(11)14/h2-8H,1H3
InChIKeyBCZTYCWNYYKYLO-UHFFFAOYSA-N
MW339.13 g/mol
LogP2.93
Rot. Bonds3

About (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone

(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 115793494) has the molecular formula C13H10INO2 and a molecular weight of 339.13 g/mol. Its IUPAC name is (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID115793494
Molecular FormulaC13H10INO2
Molecular Weight339.13 g/mol
Exact Mass338.98
IUPAC Name(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2ccccc2I)c1
InChIInChI=1S/C13H10INO2/c1-17-10-6-9(7-15-8-10)13(16)11-4-2-3-5-12(11)14/h2-8H,1H3
InChIKeyBCZTYCWNYYKYLO-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 115793452
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491327
(5-methoxy-3-pyridinyl)-quinolin-8-ylmethanone
CID 105124008
(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
CID 105123960
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
(5-methoxy-3-pyridinyl)-(3-methylsulfonylphenyl)methanone
CID 115793456
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116581855

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone (CID 115793494) is (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone is COc1cncc(C(=O)c2ccccc2I)c1.
What is the InChIKey of (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is BCZTYCWNYYKYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO2/c1-17-10-6-9(7-15-8-10)13(16)11-4-2-3-5-12(11)14/h2-8H,1H3.
What are the key properties of (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone?
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 339.13 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115793494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).