ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine

C15H19F4N3 — CID 170741210

IUPACethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine
SMILESCC.CC.Cc1cnc(-c2ncncc2F)c(C(F)(F)F)c1
InChIInChI=1S/C11H7F4N3.2C2H6/c1-6-2-7(11(13,14)15)9(17-3-6)10-8(12)4-16-5-18-10;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyXTCZETKUQLUIHV-UHFFFAOYSA-N
MW317.33 g/mol
LogP5.06
Rot. Bonds1

About ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine

ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine (PubChem CID 170741210) has the molecular formula C15H19F4N3 and a molecular weight of 317.33 g/mol. Its IUPAC name is ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Nameethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine
PubChem CID170741210
Molecular FormulaC15H19F4N3
Molecular Weight317.33 g/mol
Exact Mass317.15
IUPAC Nameethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine
SMILESCC.CC.Cc1cnc(-c2ncncc2F)c(C(F)(F)F)c1
InChIInChI=1S/C11H7F4N3.2C2H6/c1-6-2-7(11(13,14)15)9(17-3-6)10-8(12)4-16-5-18-10;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyXTCZETKUQLUIHV-UHFFFAOYSA-N
XLogP5.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.33
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine?
The IUPAC name of ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine (CID 170741210) is ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine.
What is the SMILES notation for ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine?
The canonical SMILES for ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine is CC.CC.Cc1cnc(-c2ncncc2F)c(C(F)(F)F)c1.
What is the InChIKey of ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine?
The InChIKey is XTCZETKUQLUIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3.2C2H6/c1-6-2-7(11(13,14)15)9(17-3-6)10-8(12)4-16-5-18-10;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine?
ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine has a molecular weight of 317.33 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 170741210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).