2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine

C12H6ClF3N2O3 — CID 2779612

IUPAC2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1Cl
InChIInChI=1S/C12H6ClF3N2O3/c13-11-10(2-1-5-17-11)21-9-4-3-7(12(14,15)16)6-8(9)18(19)20/h1-6H
InChIKeyAOHZBBZRAQFRKP-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.45
Rot. Bonds3

About 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine

2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 2779612) has the molecular formula C12H6ClF3N2O3 and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
PubChem CID2779612
Molecular FormulaC12H6ClF3N2O3
Molecular Weight318.64 g/mol
Exact Mass318.00
IUPAC Name2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1Cl
InChIInChI=1S/C12H6ClF3N2O3/c13-11-10(2-1-5-17-11)21-9-4-3-7(12(14,15)16)6-8(9)18(19)20/h1-6H
InChIKeyAOHZBBZRAQFRKP-UHFFFAOYSA-N
XLogP4.45
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164
1-(5-fluoro-2-nitrophenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 9311790
3,5-dichloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 4770149
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 8565508
(NZ)-N-[[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
CID 126083188
1-[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-phenylmethanimine
CID 126206232
[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 126123923
3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 8707348
1-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]pyrazole
CID 86788095
N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 38112749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine (CID 2779612) is 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine is O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is AOHZBBZRAQFRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O3/c13-11-10(2-1-5-17-11)21-9-4-3-7(12(14,15)16)6-8(9)18(19)20/h1-6H.
What are the key properties of 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine?
2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 318.64 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 2779612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).