4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline

C10H7ClIN3O — CID 133056152

IUPAC4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline
SMILESNc1ccc(Oc2cc(Cl)nc(I)n2)cc1
InChIInChI=1S/C10H7ClIN3O/c11-8-5-9(15-10(12)14-8)16-7-3-1-6(13)2-4-7/h1-5H,13H2
InChIKeyDMHRKVABPGRZCC-UHFFFAOYSA-N
MW347.54 g/mol
LogP3.11
Rot. Bonds2

About 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline

4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline (PubChem CID 133056152) has the molecular formula C10H7ClIN3O and a molecular weight of 347.54 g/mol. Its IUPAC name is 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline
PubChem CID133056152
Molecular FormulaC10H7ClIN3O
Molecular Weight347.54 g/mol
Exact Mass346.93
IUPAC Name4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline
SMILESNc1ccc(Oc2cc(Cl)nc(I)n2)cc1
InChIInChI=1S/C10H7ClIN3O/c11-8-5-9(15-10(12)14-8)16-7-3-1-6(13)2-4-7/h1-5H,13H2
InChIKeyDMHRKVABPGRZCC-UHFFFAOYSA-N
XLogP3.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline?
The IUPAC name of 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline (CID 133056152) is 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline?
The canonical SMILES for 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline is Nc1ccc(Oc2cc(Cl)nc(I)n2)cc1.
What is the InChIKey of 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline?
The InChIKey is DMHRKVABPGRZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN3O/c11-8-5-9(15-10(12)14-8)16-7-3-1-6(13)2-4-7/h1-5H,13H2.
What are the key properties of 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline?
4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline has a molecular weight of 347.54 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-iodopyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 133056152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).