4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine

C9H6ClIN4O — CID 103373064

IUPAC4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
SMILESCOc1ccc(-c2ncc(I)c(Cl)n2)nn1
InChIInChI=1S/C9H6ClIN4O/c1-16-7-3-2-6(14-15-7)9-12-4-5(11)8(10)13-9/h2-4H,1H3
InChIKeyBWWGDZAKDCIWEJ-UHFFFAOYSA-N
MW348.53 g/mol
LogP2.20
Rot. Bonds2

About 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine

4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine (PubChem CID 103373064) has the molecular formula C9H6ClIN4O and a molecular weight of 348.53 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
PubChem CID103373064
Molecular FormulaC9H6ClIN4O
Molecular Weight348.53 g/mol
Exact Mass347.93
IUPAC Name4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
SMILESCOc1ccc(-c2ncc(I)c(Cl)n2)nn1
InChIInChI=1S/C9H6ClIN4O/c1-16-7-3-2-6(14-15-7)9-12-4-5(11)8(10)13-9/h2-4H,1H3
InChIKeyBWWGDZAKDCIWEJ-UHFFFAOYSA-N
XLogP2.20
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431567
2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
CID 103375163
5-(chloromethyl)-4-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidine
CID 114205394
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
CID 66293475
4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine
CID 66292658
5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375046
N-[[2-(6-methoxypyridazin-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103375185
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)pyrimidine
CID 103347910
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
CID 107502289
4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine
CID 66313466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine (CID 103373064) is 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine is COc1ccc(-c2ncc(I)c(Cl)n2)nn1.
What is the InChIKey of 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine?
The InChIKey is BWWGDZAKDCIWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN4O/c1-16-7-3-2-6(14-15-7)9-12-4-5(11)8(10)13-9/h2-4H,1H3.
What are the key properties of 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine?
4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine has a molecular weight of 348.53 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine is sourced from PubChem (CID 103373064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).