2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine

C12H6ClF3N2O3 — CID 119013443

IUPAC2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H6ClF3N2O3/c13-11-10(5-8(6-17-11)18(19)20)7-1-3-9(4-2-7)21-12(14,15)16/h1-6H
InChIKeyWWXBECSLAQJYIV-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine

2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 119013443) has the molecular formula C12H6ClF3N2O3 and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID119013443
Molecular FormulaC12H6ClF3N2O3
Molecular Weight318.64 g/mol
Exact Mass318.00
IUPAC Name2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C12H6ClF3N2O3/c13-11-10(5-8(6-17-11)18(19)20)7-1-3-9(4-2-7)21-12(14,15)16/h1-6H
InChIKeyWWXBECSLAQJYIV-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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-5-nitro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 119022402
4-nitro-1-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 86094926
2-methoxy-5-nitro-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 134620874
2-chloro-1-nitro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119011135
6-nitro-3-[4-(trifluoromethoxy)phenyl]chromen-2-one
CID 170776276
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
N,2-dimethyl-5-nitro-N-prop-1-ynyl-3-[4-(trifluoromethoxy)phenyl]aniline;ethane
CID 168904697
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
2-ethynyl-1-nitro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 176548437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine (CID 119013443) is 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine is O=[N+]([O-])c1cnc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is WWXBECSLAQJYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O3/c13-11-10(5-8(6-17-11)18(19)20)7-1-3-9(4-2-7)21-12(14,15)16/h1-6H.
What are the key properties of 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine?
2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 318.64 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 119013443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).