N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C13H7ClF3N3O3 — CID 70120337

IUPACN-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C13H7ClF3N3O3/c14-9-4-8(13(15,16)17)5-10(20(22)23)11(9)19-12(21)7-2-1-3-18-6-7/h1-6H,(H,19,21)
InChIKeyISEGMWPRJZUWIM-UHFFFAOYSA-N
MW345.66 g/mol
LogP3.91
Rot. Bonds3

About N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 70120337) has the molecular formula C13H7ClF3N3O3 and a molecular weight of 345.66 g/mol. Its IUPAC name is N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID70120337
Molecular FormulaC13H7ClF3N3O3
Molecular Weight345.66 g/mol
Exact Mass345.01
IUPAC NameN-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C13H7ClF3N3O3/c14-9-4-8(13(15,16)17)5-10(20(22)23)11(9)19-12(21)7-2-1-3-18-6-7/h1-6H,(H,19,21)
InChIKeyISEGMWPRJZUWIM-UHFFFAOYSA-N
XLogP3.91
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.66
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
CID 154292912
N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide
CID 16776804
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 70120337) is N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ISEGMWPRJZUWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3O3/c14-9-4-8(13(15,16)17)5-10(20(22)23)11(9)19-12(21)7-2-1-3-18-6-7/h1-6H,(H,19,21).
What are the key properties of N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 345.66 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 70120337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).