SXGCMGBCUGNTII-UHFFFAOYSA-N

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

C₁₃H₆F₇N — CID 130181953

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

IUPAC2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine

SMILESFc1cccnc1-c1ccc(C(F)(F)F)cc1C(F)(F)F

InChIInChI=1S/C13H6F7N/c14-10-2-1-5-21-11(10)8-4-3-7(12(15,16)17)6-9(8)13(18,19)20/h1-6H

InChIKeySXGCMGBCUGNTII-UHFFFAOYSA-N

MW309.18 g/mol

LogP4.93

Rot. Bonds1

About SXGCMGBCUGNTII-UHFFFAOYSA-N

SXGCMGBCUGNTII-UHFFFAOYSA-N (PubChem CID 130181953) has the molecular formula C₁₃H₆F₇N and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine.

Molecular Properties

Compound Name	SXGCMGBCUGNTII-UHFFFAOYSA-N
PubChem CID	130181953
Molecular Formula	C₁₃H₆F₇N
Molecular Weight	309.18 g/mol
Exact Mass	309.04
IUPAC Name	2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine
SMILES	Fc1cccnc1-c1ccc(C(F)(F)F)cc1C(F)(F)F
InChI	InChI=1S/C13H6F7N/c14-10-2-1-5-21-11(10)8-4-3-7(12(15,16)17)6-9(8)13(18,19)20/h1-6H
InChIKey	SXGCMGBCUGNTII-UHFFFAOYSA-N
XLogP	4.93
TPSA	12.89 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.18
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of SXGCMGBCUGNTII-UHFFFAOYSA-N (CID 130181953) is 2-[2,4-bis(trifluoromethyl)phenyl]-3-fluoropyridine.

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

The canonical SMILES for SXGCMGBCUGNTII-UHFFFAOYSA-N is Fc1cccnc1-c1ccc(C(F)(F)F)cc1C(F)(F)F.

What is the InChIKey of SXGCMGBCUGNTII-UHFFFAOYSA-N?

The InChIKey is SXGCMGBCUGNTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7N/c14-10-2-1-5-21-11(10)8-4-3-7(12(15,16)17)6-9(8)13(18,19)20/h1-6H.

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

SXGCMGBCUGNTII-UHFFFAOYSA-N has a molecular weight of 309.18 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for SXGCMGBCUGNTII-UHFFFAOYSA-N is sourced from PubChem (CID 130181953), 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 130181953 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.