2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine

C11H5ClF3N3O2 — CID 174480206

IUPAC2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)c(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H5ClF3N3O2/c12-10-8(18(19)20)4-7(11(13,14)15)9(17-10)6-2-1-3-16-5-6/h1-5H
InChIKeyCMUZXWDJMZMSRV-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.72
Rot. Bonds2

About 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine

2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine (PubChem CID 174480206) has the molecular formula C11H5ClF3N3O2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine
PubChem CID174480206
Molecular FormulaC11H5ClF3N3O2
Molecular Weight303.63 g/mol
Exact Mass303.00
IUPAC Name2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)c(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H5ClF3N3O2/c12-10-8(18(19)20)4-7(11(13,14)15)9(17-10)6-2-1-3-16-5-6/h1-5H
InChIKeyCMUZXWDJMZMSRV-UHFFFAOYSA-N
XLogP3.72
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.72
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-nitro-6-pyridin-3-ylpyridine
CID 20550319
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
6-methyl-3-nitro-2-pyridin-3-ylpyridine
CID 46316012
1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(pyridin-3-ylmethyl)piperazine
CID 24606737
5-nitro-2-[[2-nitro-4-octoxy-5-(trifluoromethyl)phenyl]methyl]-4-pyridin-3-yl-1,3-thiazole
CID 160790300
2-[6-chloro-3-nitro-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 175933339
4-chloro-5-nitro-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 102709028
disilver;2,3-dipyridin-3-ylpyridine;dinitrate
CID 174813132
3-fluoro-2-pyridin-3-yl-6-(trifluoromethyl)pyridine
CID 46315838
N-(3-nitro-5-pyridin-3-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 140674863
2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine
CID 177245623

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine (CID 174480206) is 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine is O=[N+]([O-])c1cc(C(F)(F)F)c(-c2cccnc2)nc1Cl.
What is the InChIKey of 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine?
The InChIKey is CMUZXWDJMZMSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N3O2/c12-10-8(18(19)20)4-7(11(13,14)15)9(17-10)6-2-1-3-16-5-6/h1-5H.
What are the key properties of 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine?
2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine has a molecular weight of 303.63 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 174480206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).