6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine

C9H10ClIN2 — CID 89157750

IUPAC6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CNc1nc(Cl)ccc1I
InChIInChI=1S/C9H10ClIN2/c1-6(2)5-12-9-7(11)3-4-8(10)13-9/h3-4H,1,5H2,2H3,(H,12,13)
InChIKeyDUMLSRKFSXBHQT-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.33
Rot. Bonds3

About 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine

6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine (PubChem CID 89157750) has the molecular formula C9H10ClIN2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine
PubChem CID89157750
Molecular FormulaC9H10ClIN2
Molecular Weight308.55 g/mol
Exact Mass307.96
IUPAC Name6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine
SMILESC=C(C)CNc1nc(Cl)ccc1I
InChIInChI=1S/C9H10ClIN2/c1-6(2)5-12-9-7(11)3-4-8(10)13-9/h3-4H,1,5H2,2H3,(H,12,13)
InChIKeyDUMLSRKFSXBHQT-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine (CID 89157750) is 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine is C=C(C)CNc1nc(Cl)ccc1I.
What is the InChIKey of 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine?
The InChIKey is DUMLSRKFSXBHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN2/c1-6(2)5-12-9-7(11)3-4-8(10)13-9/h3-4H,1,5H2,2H3,(H,12,13).
What are the key properties of 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine?
6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine has a molecular weight of 308.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-N-(2-methylprop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 89157750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).