5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine

C9H7ClFN3S — CID 79733721

IUPAC5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine
SMILESCn1ccnc1Sc1ncc(Cl)cc1F
InChIInChI=1S/C9H7ClFN3S/c1-14-3-2-12-9(14)15-8-7(11)4-6(10)5-13-8/h2-5H,1H3
InChIKeyWQYIZDCXUUVVTB-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.76
Rot. Bonds2

About 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine

5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine (PubChem CID 79733721) has the molecular formula C9H7ClFN3S and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine
PubChem CID79733721
Molecular FormulaC9H7ClFN3S
Molecular Weight243.69 g/mol
Exact Mass243.00
IUPAC Name5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine
SMILESCn1ccnc1Sc1ncc(Cl)cc1F
InChIInChI=1S/C9H7ClFN3S/c1-14-3-2-12-9(14)15-8-7(11)4-6(10)5-13-8/h2-5H,1H3
InChIKeyWQYIZDCXUUVVTB-UHFFFAOYSA-N
XLogP2.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine (CID 79733721) is 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine is Cn1ccnc1Sc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine?
The InChIKey is WQYIZDCXUUVVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3S/c1-14-3-2-12-9(14)15-8-7(11)4-6(10)5-13-8/h2-5H,1H3.
What are the key properties of 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine?
5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine has a molecular weight of 243.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(1-methylimidazol-2-yl)sulfanylpyridine is sourced from PubChem (CID 79733721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).