(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone

C11H6ClIN2O — CID 103214115

IUPAC(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1cnccn1
InChIInChI=1S/C11H6ClIN2O/c12-8-5-7(1-2-9(8)13)11(16)10-6-14-3-4-15-10/h1-6H
InChIKeyUGQQCGHGAGJPCH-UHFFFAOYSA-N
MW344.54 g/mol
LogP2.97
Rot. Bonds2

About (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone

(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone (PubChem CID 103214115) has the molecular formula C11H6ClIN2O and a molecular weight of 344.54 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone
PubChem CID103214115
Molecular FormulaC11H6ClIN2O
Molecular Weight344.54 g/mol
Exact Mass343.92
IUPAC Name(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1cnccn1
InChIInChI=1S/C11H6ClIN2O/c12-8-5-7(1-2-9(8)13)11(16)10-6-14-3-4-15-10/h1-6H
InChIKeyUGQQCGHGAGJPCH-UHFFFAOYSA-N
XLogP2.97
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 52.97
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

(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088
(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
CID 116547270
1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone
CID 114973067
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
3-chloro-4-iodobenzoic acid
CID 18953341
[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone
CID 116548267
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
CID 106864959
(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951
3-chloro-4-iodobenzamide
CID 94675118
3-chloro-4-pyrazin-2-ylsulfanylbenzoic acid
CID 63514210
(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
CID 134638287
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone (CID 103214115) is (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone is O=C(c1ccc(I)c(Cl)c1)c1cnccn1.
What is the InChIKey of (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone?
The InChIKey is UGQQCGHGAGJPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIN2O/c12-8-5-7(1-2-9(8)13)11(16)10-6-14-3-4-15-10/h1-6H.
What are the key properties of (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone?
(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone has a molecular weight of 344.54 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 103214115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).