5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine

C13H7Cl2FIN3S — CID 174302167

IUPAC5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Cn1cc(I)nc1-c1ccc(Cl)s1
InChIInChI=1S/C13H7Cl2FIN3S/c14-7-3-8(16)9(18-4-7)5-20-6-12(17)19-13(20)10-1-2-11(15)21-10/h1-4,6H,5H2
InChIKeyOLDDNXCFEMXFDJ-UHFFFAOYSA-N
MW454.10 g/mol
LogP5.11
Rot. Bonds3

About 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine

5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine (PubChem CID 174302167) has the molecular formula C13H7Cl2FIN3S and a molecular weight of 454.10 g/mol. Its IUPAC name is 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine
PubChem CID174302167
Molecular FormulaC13H7Cl2FIN3S
Molecular Weight454.10 g/mol
Exact Mass452.88
IUPAC Name5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Cn1cc(I)nc1-c1ccc(Cl)s1
InChIInChI=1S/C13H7Cl2FIN3S/c14-7-3-8(16)9(18-4-7)5-20-6-12(17)19-13(20)10-1-2-11(15)21-10/h1-4,6H,5H2
InChIKeyOLDDNXCFEMXFDJ-UHFFFAOYSA-N
XLogP5.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.10
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[[4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-3-fluoropyridine
CID 171842708
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 79734154
5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
CID 117259368
5-chloro-2-[[2-(5-methylsulfonylthiophen-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842784
5-chloro-3-(5-chlorothiophen-2-yl)pyridazine
CID 117106403
2-(bromomethyl)-5-chloro-3-iodopyridine
CID 133059296
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine
CID 79734658
3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
CID 166793488
N-[1-(aminomethyl)cyclopentyl]-5-chloro-3-fluoropyridin-2-amine
CID 79727651
5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 171782391
4-(chloromethyl)-2-(5-chlorothiophen-2-yl)-6-methylpyrimidine
CID 130834174

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine?
The IUPAC name of 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine (CID 174302167) is 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine is Fc1cc(Cl)cnc1Cn1cc(I)nc1-c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine?
The InChIKey is OLDDNXCFEMXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FIN3S/c14-7-3-8(16)9(18-4-7)5-20-6-12(17)19-13(20)10-1-2-11(15)21-10/h1-4,6H,5H2.
What are the key properties of 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine?
5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine has a molecular weight of 454.10 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(5-chlorothiophen-2-yl)-4-iodoimidazol-1-yl]methyl]-3-fluoropyridine is sourced from PubChem (CID 174302167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).