4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine

C11H11ClFIN2 — CID 156572269

IUPAC4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine
SMILESCC1=C(I)CCN(c2cc(Cl)c(F)cn2)C1
InChIInChI=1S/C11H11ClFIN2/c1-7-6-16(3-2-10(7)14)11-4-8(12)9(13)5-15-11/h4-5H,2-3,6H2,1H3
InChIKeyHQNROJCITRHFHJ-UHFFFAOYSA-N
MW352.58 g/mol
LogP3.79
Rot. Bonds1

About 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine

4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine (PubChem CID 156572269) has the molecular formula C11H11ClFIN2 and a molecular weight of 352.58 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine
PubChem CID156572269
Molecular FormulaC11H11ClFIN2
Molecular Weight352.58 g/mol
Exact Mass351.96
IUPAC Name4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine
SMILESCC1=C(I)CCN(c2cc(Cl)c(F)cn2)C1
InChIInChI=1S/C11H11ClFIN2/c1-7-6-16(3-2-10(7)14)11-4-8(12)9(13)5-15-11/h4-5H,2-3,6H2,1H3
InChIKeyHQNROJCITRHFHJ-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
The IUPAC name of 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine (CID 156572269) is 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine.
What is the SMILES notation for 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
The canonical SMILES for 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine is CC1=C(I)CCN(c2cc(Cl)c(F)cn2)C1.
What is the InChIKey of 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
The InChIKey is HQNROJCITRHFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFIN2/c1-7-6-16(3-2-10(7)14)11-4-8(12)9(13)5-15-11/h4-5H,2-3,6H2,1H3.
What are the key properties of 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine has a molecular weight of 352.58 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(4-iodo-5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine is sourced from PubChem (CID 156572269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).