4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile

Name: 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₇ClFN₃O — CID 114046415

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

IUPAC4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile

SMILESN#Cc1ccc(Oc2ncc(N)cc2Cl)c(F)c1

InChIInChI=1S/C12H7ClFN3O/c13-9-4-8(16)6-17-12(9)18-11-2-1-7(5-15)3-10(11)14/h1-4,6H,16H2

InChIKeyWPQUEEZWAHIMAR-UHFFFAOYSA-N

MW263.66 g/mol

LogP3.12

Rot. Bonds2

About 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile

4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile (PubChem CID 114046415) has the molecular formula C₁₂H₇ClFN₃O and a molecular weight of 263.66 g/mol. Its IUPAC name is 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name	4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
PubChem CID	114046415
Molecular Formula	C₁₂H₇ClFN₃O
Molecular Weight	263.66 g/mol
Exact Mass	263.03
IUPAC Name	4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
SMILES	N#Cc1ccc(Oc2ncc(N)cc2Cl)c(F)c1
InChI	InChI=1S/C12H7ClFN3O/c13-9-4-8(16)6-17-12(9)18-11-2-1-7(5-15)3-10(11)14/h1-4,6H,16H2
InChIKey	WPQUEEZWAHIMAR-UHFFFAOYSA-N
XLogP	3.12
TPSA	71.93 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.66
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?

The IUPAC name of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile (CID 114046415) is 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile.

What is the SMILES notation for 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?

The canonical SMILES for 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile is N#Cc1ccc(Oc2ncc(N)cc2Cl)c(F)c1.

What is the InChIKey of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?

The InChIKey is WPQUEEZWAHIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O/c13-9-4-8(16)6-17-12(9)18-11-2-1-7(5-15)3-10(11)14/h1-4,6H,16H2.

What are the key properties of 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile?

4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile has a molecular weight of 263.66 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile is sourced from PubChem (CID 114046415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 114046415 — identifiers, structure, computed properties (public domain)

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