3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine

C12H4Cl2F3IN4 — CID 163462664

IUPAC3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc(-c2nc3cc(I)cnc3n2Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl2F3IN4/c13-7-1-5(12(15,16)17)3-19-9(7)11-21-8-2-6(18)4-20-10(8)22(11)14/h1-4H
InChIKeyNEXFPXQYTNUGEP-UHFFFAOYSA-N
MW459.00 g/mol
LogP4.77
Rot. Bonds1

About 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine

3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine (PubChem CID 163462664) has the molecular formula C12H4Cl2F3IN4 and a molecular weight of 459.00 g/mol. Its IUPAC name is 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine
PubChem CID163462664
Molecular FormulaC12H4Cl2F3IN4
Molecular Weight459.00 g/mol
Exact Mass457.88
IUPAC Name3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc(-c2nc3cc(I)cnc3n2Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl2F3IN4/c13-7-1-5(12(15,16)17)3-19-9(7)11-21-8-2-6(18)4-20-10(8)22(11)14/h1-4H
InChIKeyNEXFPXQYTNUGEP-UHFFFAOYSA-N
XLogP4.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.00
LogP ≤ 54.77
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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodo-3-methylimidazo[4,5-b]pyridine
CID 90271643
2-(3-chloro-2-pyridinyl)-6-iodo-3-methylimidazo[4,5-b]pyridine
CID 90271670
6-(1,1-difluoroethyl)-3-methyl-2-[3-methylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine
CID 118581459
2-methyl-2-[5-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]propanenitrile
CID 171789668
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 71299224
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylsulfanylpyrimidine
CID 71628469
2-(3,6-dimethyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 149142899
3-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 84715472
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)pyrimidine
CID 103596060
3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134524965
3,6-diiodo-2-methylimidazo[4,5-b]pyridine
CID 167010033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine?
The IUPAC name of 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine (CID 163462664) is 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine?
The canonical SMILES for 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine is FC(F)(F)c1cnc(-c2nc3cc(I)cnc3n2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine?
The InChIKey is NEXFPXQYTNUGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2F3IN4/c13-7-1-5(12(15,16)17)3-19-9(7)11-21-8-2-6(18)4-20-10(8)22(11)14/h1-4H.
What are the key properties of 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine?
3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine has a molecular weight of 459.00 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-iodoimidazo[4,5-b]pyridine is sourced from PubChem (CID 163462664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).