4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C10H5F4N3 — CID 178126543

IUPAC4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFc1cc(-c2ccc(C(F)(F)F)nc2)ncn1
InChIInChI=1S/C10H5F4N3/c11-9-3-7(16-5-17-9)6-1-2-8(15-4-6)10(12,13)14/h1-5H
InChIKeyDCHHDEPMNIVHAP-UHFFFAOYSA-N
MW243.16 g/mol
LogP2.70
Rot. Bonds1

About 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 178126543) has the molecular formula C10H5F4N3 and a molecular weight of 243.16 g/mol. Its IUPAC name is 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID178126543
Molecular FormulaC10H5F4N3
Molecular Weight243.16 g/mol
Exact Mass243.04
IUPAC Name4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFc1cc(-c2ccc(C(F)(F)F)nc2)ncn1
InChIInChI=1S/C10H5F4N3/c11-9-3-7(16-5-17-9)6-1-2-8(15-4-6)10(12,13)14/h1-5H
InChIKeyDCHHDEPMNIVHAP-UHFFFAOYSA-N
XLogP2.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 178126543) is 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is Fc1cc(-c2ccc(C(F)(F)F)nc2)ncn1.
What is the InChIKey of 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is DCHHDEPMNIVHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4N3/c11-9-3-7(16-5-17-9)6-1-2-8(15-4-6)10(12,13)14/h1-5H.
What are the key properties of 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 243.16 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 178126543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).