N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine

C9H12IN3 — CID 134334341

IUPACN-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine
SMILESCc1cc(NC2CNC2)ncc1I
InChIInChI=1S/C9H12IN3/c1-6-2-9(12-5-8(6)10)13-7-3-11-4-7/h2,5,7,11H,3-4H2,1H3,(H,12,13)
InChIKeyCCRQYIXKVPGBPC-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.38
Rot. Bonds2

About N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine

N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine (PubChem CID 134334341) has the molecular formula C9H12IN3 and a molecular weight of 289.12 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine
PubChem CID134334341
Molecular FormulaC9H12IN3
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC NameN-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine
SMILESCc1cc(NC2CNC2)ncc1I
InChIInChI=1S/C9H12IN3/c1-6-2-9(12-5-8(6)10)13-7-3-11-4-7/h2,5,7,11H,3-4H2,1H3,(H,12,13)
InChIKeyCCRQYIXKVPGBPC-UHFFFAOYSA-N
XLogP1.38
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine (CID 134334341) is N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine is Cc1cc(NC2CNC2)ncc1I.
What is the InChIKey of N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine?
The InChIKey is CCRQYIXKVPGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3/c1-6-2-9(12-5-8(6)10)13-7-3-11-4-7/h2,5,7,11H,3-4H2,1H3,(H,12,13).
What are the key properties of N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine?
N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine has a molecular weight of 289.12 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-iodo-4-methylpyridin-2-amine is sourced from PubChem (CID 134334341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).