2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine

C13H7ClFN5O2 — CID 177321353

IUPAC2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc(-c3cccc(Cl)n3)nn2)c(F)c1
InChIInChI=1S/C13H7ClFN5O2/c14-13-3-1-2-10(16-13)11-7-19(18-17-11)12-5-4-8(20(21)22)6-9(12)15/h1-7H
InChIKeyJZDTYDSZSJUAPL-UHFFFAOYSA-N
MW319.68 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine

2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine (PubChem CID 177321353) has the molecular formula C13H7ClFN5O2 and a molecular weight of 319.68 g/mol. Its IUPAC name is 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine
PubChem CID177321353
Molecular FormulaC13H7ClFN5O2
Molecular Weight319.68 g/mol
Exact Mass319.03
IUPAC Name2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine
SMILESO=[N+]([O-])c1ccc(-n2cc(-c3cccc(Cl)n3)nn2)c(F)c1
InChIInChI=1S/C13H7ClFN5O2/c14-13-3-1-2-10(16-13)11-7-19(18-17-11)12-5-4-8(20(21)22)6-9(12)15/h1-7H
InChIKeyJZDTYDSZSJUAPL-UHFFFAOYSA-N
XLogP3.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-(2-fluoro-4-nitrophenyl)triazole-4-carbaldehyde
CID 66215024
5-chloro-2-[4-(6-fluoro-2-pyridinyl)triazol-1-yl]benzonitrile
CID 166329019
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
7-bromo-5-chloro-2-(2-fluoro-4-nitrophenyl)pyrazolo[4,3-b]pyridine
CID 155319263
1-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]butan-1-amine
CID 106227084
N-[[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]methyl]-2-methoxyethanamine
CID 66207121
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
3-(6-chloro-2-pyridinyl)-6-nitro-2H-1,3-benzothiazole
CID 87379332
1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
CID 132586316
1-(2-fluoro-4-nitrophenyl)pyridin-4-one
CID 86185931
4-(2-nitrophenyl)-1-(4-nitrophenyl)triazole
CID 101463885
4-ethyl-6-[1-(2-fluoro-4-nitrophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
CID 169238665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine?
The IUPAC name of 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine (CID 177321353) is 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine is O=[N+]([O-])c1ccc(-n2cc(-c3cccc(Cl)n3)nn2)c(F)c1.
What is the InChIKey of 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine?
The InChIKey is JZDTYDSZSJUAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN5O2/c14-13-3-1-2-10(16-13)11-7-19(18-17-11)12-5-4-8(20(21)22)6-9(12)15/h1-7H.
What are the key properties of 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine?
2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine has a molecular weight of 319.68 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(2-fluoro-4-nitrophenyl)triazol-4-yl]pyridine is sourced from PubChem (CID 177321353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).