3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol

C12H10ClIN2O2 — CID 66314034

IUPAC3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
SMILESCOCc1nc(-c2cccc(O)c2)nc(Cl)c1I
InChIInChI=1S/C12H10ClIN2O2/c1-18-6-9-10(14)11(13)16-12(15-9)7-3-2-4-8(17)5-7/h2-5,17H,6H2,1H3
InChIKeyNIUXHYARVKGMHS-UHFFFAOYSA-N
MW376.58 g/mol
LogP3.25
Rot. Bonds3

About 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol

3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol (PubChem CID 66314034) has the molecular formula C12H10ClIN2O2 and a molecular weight of 376.58 g/mol. Its IUPAC name is 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
PubChem CID66314034
Molecular FormulaC12H10ClIN2O2
Molecular Weight376.58 g/mol
Exact Mass375.95
IUPAC Name3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
SMILESCOCc1nc(-c2cccc(O)c2)nc(Cl)c1I
InChIInChI=1S/C12H10ClIN2O2/c1-18-6-9-10(14)11(13)16-12(15-9)7-3-2-4-8(17)5-7/h2-5,17H,6H2,1H3
InChIKeyNIUXHYARVKGMHS-UHFFFAOYSA-N
XLogP3.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol (CID 66314034) is 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol is COCc1nc(-c2cccc(O)c2)nc(Cl)c1I.
What is the InChIKey of 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol?
The InChIKey is NIUXHYARVKGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O2/c1-18-6-9-10(14)11(13)16-12(15-9)7-3-2-4-8(17)5-7/h2-5,17H,6H2,1H3.
What are the key properties of 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol?
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol has a molecular weight of 376.58 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 66314034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).