(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone

C12H7ClINO — CID 134638287

IUPAC(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H7ClINO/c13-10-4-3-8(6-11(10)14)12(16)9-2-1-5-15-7-9/h1-7H
InChIKeyJYUCGYWOFXRRHE-UHFFFAOYSA-N
MW343.55 g/mol
LogP3.57
Rot. Bonds2

About (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone

(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone (PubChem CID 134638287) has the molecular formula C12H7ClINO and a molecular weight of 343.55 g/mol. Its IUPAC name is (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
PubChem CID134638287
Molecular FormulaC12H7ClINO
Molecular Weight343.55 g/mol
Exact Mass342.93
IUPAC Name(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H7ClINO/c13-10-4-3-8(6-11(10)14)12(16)9-2-1-5-15-7-9/h1-7H
InChIKeyJYUCGYWOFXRRHE-UHFFFAOYSA-N
XLogP3.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 53.57
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

(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
4-chloro-3-iodobenzoyl chloride
CID 57349940
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
CID 131854915
CID 131854915
(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone (CID 134638287) is (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1ccc(Cl)c(I)c1.
What is the InChIKey of (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone?
The InChIKey is JYUCGYWOFXRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClINO/c13-10-4-3-8(6-11(10)14)12(16)9-2-1-5-15-7-9/h1-7H.
What are the key properties of (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone?
(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone has a molecular weight of 343.55 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-iodophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 134638287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).