2-chloro-N-deuterio-5-iodopyridin-4-amine

C5H4ClIN2 — CID 175944779

IUPAC2-chloro-N-deuterio-5-iodopyridin-4-amine
SMILES[2H]Nc1cc(Cl)ncc1I
InChIInChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)/i/hD
InChIKeyDEJUUKULVAIMNF-DYCDLGHISA-N
MW255.46 g/mol
LogP1.92
Rot. Bonds1

About 2-chloro-N-deuterio-5-iodopyridin-4-amine

2-chloro-N-deuterio-5-iodopyridin-4-amine (PubChem CID 175944779) has the molecular formula C5H4ClIN2 and a molecular weight of 255.46 g/mol. Its IUPAC name is 2-chloro-N-deuterio-5-iodopyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-deuterio-5-iodopyridin-4-amine
PubChem CID175944779
Molecular FormulaC5H4ClIN2
Molecular Weight255.46 g/mol
Exact Mass254.92
IUPAC Name2-chloro-N-deuterio-5-iodopyridin-4-amine
SMILES[2H]Nc1cc(Cl)ncc1I
InChIInChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)/i/hD
InChIKeyDEJUUKULVAIMNF-DYCDLGHISA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.46
LogP ≤ 51.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-deuterio-5-iodopyridin-4-amine?
The IUPAC name of 2-chloro-N-deuterio-5-iodopyridin-4-amine (CID 175944779) is 2-chloro-N-deuterio-5-iodopyridin-4-amine.
What is the SMILES notation for 2-chloro-N-deuterio-5-iodopyridin-4-amine?
The canonical SMILES for 2-chloro-N-deuterio-5-iodopyridin-4-amine is [2H]Nc1cc(Cl)ncc1I.
What is the InChIKey of 2-chloro-N-deuterio-5-iodopyridin-4-amine?
The InChIKey is DEJUUKULVAIMNF-DYCDLGHISA-N. The full InChI is InChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)/i/hD.
What are the key properties of 2-chloro-N-deuterio-5-iodopyridin-4-amine?
2-chloro-N-deuterio-5-iodopyridin-4-amine has a molecular weight of 255.46 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-deuterio-5-iodopyridin-4-amine is sourced from PubChem (CID 175944779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).