3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole

C13H6ClF4N3 — CID 166477783

IUPAC3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole
SMILESFc1cccc2[nH]cc(-c3nc(Cl)ncc3C(F)(F)F)c12
InChIInChI=1S/C13H6ClF4N3/c14-12-20-5-7(13(16,17)18)11(21-12)6-4-19-9-3-1-2-8(15)10(6)9/h1-5,19H
InChIKeyGYIMDAFEJUDSCQ-UHFFFAOYSA-N
MW315.66 g/mol
LogP4.44
Rot. Bonds1

About 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole

3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole (PubChem CID 166477783) has the molecular formula C13H6ClF4N3 and a molecular weight of 315.66 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole
PubChem CID166477783
Molecular FormulaC13H6ClF4N3
Molecular Weight315.66 g/mol
Exact Mass315.02
IUPAC Name3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole
SMILESFc1cccc2[nH]cc(-c3nc(Cl)ncc3C(F)(F)F)c12
InChIInChI=1S/C13H6ClF4N3/c14-12-20-5-7(13(16,17)18)11(21-12)6-4-19-9-3-1-2-8(15)10(6)9/h1-5,19H
InChIKeyGYIMDAFEJUDSCQ-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.66
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole (CID 166477783) is 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole is Fc1cccc2[nH]cc(-c3nc(Cl)ncc3C(F)(F)F)c12.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole?
The InChIKey is GYIMDAFEJUDSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4N3/c14-12-20-5-7(13(16,17)18)11(21-12)6-4-19-9-3-1-2-8(15)10(6)9/h1-5,19H.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole?
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole has a molecular weight of 315.66 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-4-fluoro-1H-indole is sourced from PubChem (CID 166477783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).