(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone

C13H9ClINO — CID 103214088

IUPAC(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C13H9ClINO/c1-8-2-3-10(7-16-8)13(17)9-4-5-12(15)11(14)6-9/h2-7H,1H3
InChIKeyMQOUGAUYQBFNMQ-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.88
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone

(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 103214088) has the molecular formula C13H9ClINO and a molecular weight of 357.58 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID103214088
Molecular FormulaC13H9ClINO
Molecular Weight357.58 g/mol
Exact Mass356.94
IUPAC Name(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C13H9ClINO/c1-8-2-3-10(7-16-8)13(17)9-4-5-12(15)11(14)6-9/h2-7H,1H3
InChIKeyMQOUGAUYQBFNMQ-UHFFFAOYSA-N
XLogP3.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116609756
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 103214281
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone
CID 103214115
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
(3-chloro-4-pyridinyl)-(6-methyl-3-pyridinyl)methanone
CID 105098887
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
3-chloro-4-iodobenzoic acid
CID 18953341
3-chloro-N-(2,6-dimethyl-3-pyridinyl)-4-iodobenzamide
CID 113253959
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone (CID 103214088) is (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2ccc(I)c(Cl)c2)cn1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MQOUGAUYQBFNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClINO/c1-8-2-3-10(7-16-8)13(17)9-4-5-12(15)11(14)6-9/h2-7H,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone?
(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 357.58 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 103214088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).