N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide

C12H6ClF3N2O — CID 63188572

IUPACN-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
SMILESO=C(Nc1cccnc1Cl)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H6ClF3N2O/c13-11-9(2-1-3-17-11)18-12(19)6-4-7(14)10(16)8(15)5-6/h1-5H,(H,18,19)
InChIKeyKIZKTQSWYDEFJB-UHFFFAOYSA-N
MW286.64 g/mol
LogP3.40
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide

N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide (PubChem CID 63188572) has the molecular formula C12H6ClF3N2O and a molecular weight of 286.64 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
PubChem CID63188572
Molecular FormulaC12H6ClF3N2O
Molecular Weight286.64 g/mol
Exact Mass286.01
IUPAC NameN-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
SMILESO=C(Nc1cccnc1Cl)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H6ClF3N2O/c13-11-9(2-1-3-17-11)18-12(19)6-4-7(14)10(16)8(15)5-6/h1-5H,(H,18,19)
InChIKeyKIZKTQSWYDEFJB-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.64
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-chloro-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 60714349
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
4-chloro-N-(2-chloro-3-pyridinyl)-3,5-dinitrobenzamide
CID 4549997
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
CID 103607627
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide (CID 63188572) is N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide is O=C(Nc1cccnc1Cl)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide?
The InChIKey is KIZKTQSWYDEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O/c13-11-9(2-1-3-17-11)18-12(19)6-4-7(14)10(16)8(15)5-6/h1-5H,(H,18,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide?
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide has a molecular weight of 286.64 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63188572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).