FEVQGGRLECKAMI-UHFFFAOYSA-N

Name: FEVQGGRLECKAMI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₇BrClF₃N₂O₃ — CID 150148923

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[2-bromo-5-[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]-4-fluorophenoxy]acetic acid

SMILESO=C(O)COc1cc(-c2ncnc(C(F)F)c2Cl)c(F)cc1Br

InChIInChI=1S/C13H7BrClF3N2O3/c14-6-2-7(16)5(1-8(6)23-3-9(21)22)11-10(15)12(13(17)18)20-4-19-11/h1-2,4,13H,3H2,(H,21,22)

InChIKeyFEVQGGRLECKAMI-UHFFFAOYSA-N

MW411.56 g/mol

LogP4.10

Rot. Bonds5

About FEVQGGRLECKAMI-UHFFFAOYSA-N

FEVQGGRLECKAMI-UHFFFAOYSA-N (PubChem CID 150148923) has the molecular formula C₁₃H₇BrClF₃N₂O₃ and a molecular weight of 411.56 g/mol. Its IUPAC name is 2-[2-bromo-5-[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]-4-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name	FEVQGGRLECKAMI-UHFFFAOYSA-N
PubChem CID	150148923
Molecular Formula	C₁₃H₇BrClF₃N₂O₃
Molecular Weight	411.56 g/mol
Exact Mass	409.93
IUPAC Name	2-[2-bromo-5-[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]-4-fluorophenoxy]acetic acid
SMILES	O=C(O)COc1cc(-c2ncnc(C(F)F)c2Cl)c(F)cc1Br
InChI	InChI=1S/C13H7BrClF3N2O3/c14-6-2-7(16)5(1-8(6)23-3-9(21)22)11-10(15)12(13(17)18)20-4-19-11/h1-2,4,13H,3H2,(H,21,22)
InChIKey	FEVQGGRLECKAMI-UHFFFAOYSA-N
XLogP	4.10
TPSA	72.31 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.56
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of FEVQGGRLECKAMI-UHFFFAOYSA-N?

The IUPAC name of FEVQGGRLECKAMI-UHFFFAOYSA-N (CID 150148923) is 2-[2-bromo-5-[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]-4-fluorophenoxy]acetic acid.

What is the SMILES notation for FEVQGGRLECKAMI-UHFFFAOYSA-N?

The canonical SMILES for FEVQGGRLECKAMI-UHFFFAOYSA-N is O=C(O)COc1cc(-c2ncnc(C(F)F)c2Cl)c(F)cc1Br.

What is the InChIKey of FEVQGGRLECKAMI-UHFFFAOYSA-N?

The InChIKey is FEVQGGRLECKAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3N2O3/c14-6-2-7(16)5(1-8(6)23-3-9(21)22)11-10(15)12(13(17)18)20-4-19-11/h1-2,4,13H,3H2,(H,21,22).

What are the key properties of FEVQGGRLECKAMI-UHFFFAOYSA-N?

FEVQGGRLECKAMI-UHFFFAOYSA-N has a molecular weight of 411.56 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for FEVQGGRLECKAMI-UHFFFAOYSA-N is sourced from PubChem (CID 150148923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 150148923 — identifiers, structure, computed properties (public domain)

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