6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine

C13H12ClIN2O — CID 155658785

IUPAC6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine
SMILESCOC(Nc1cc(I)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H12ClIN2O/c1-18-13(9-5-3-2-4-6-9)17-12-8-10(15)7-11(14)16-12/h2-8,13H,1H3,(H,16,17)
InChIKeyNAZONDYRELWAGU-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.10
Rot. Bonds4

About 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine

6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine (PubChem CID 155658785) has the molecular formula C13H12ClIN2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine
PubChem CID155658785
Molecular FormulaC13H12ClIN2O
Molecular Weight374.61 g/mol
Exact Mass373.97
IUPAC Name6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine
SMILESCOC(Nc1cc(I)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H12ClIN2O/c1-18-13(9-5-3-2-4-6-9)17-12-8-10(15)7-11(14)16-12/h2-8,13H,1H3,(H,16,17)
InChIKeyNAZONDYRELWAGU-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine (CID 155658785) is 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine is COC(Nc1cc(I)cc(Cl)n1)c1ccccc1.
What is the InChIKey of 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine?
The InChIKey is NAZONDYRELWAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O/c1-18-13(9-5-3-2-4-6-9)17-12-8-10(15)7-11(14)16-12/h2-8,13H,1H3,(H,16,17).
What are the key properties of 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine?
6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine has a molecular weight of 374.61 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-iodo-N-[methoxy(phenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 155658785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).