4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C12H6ClF3N2O — CID 30430877

IUPAC4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(Cl)ccn1
InChIInChI=1S/C12H6ClF3N2O/c13-6-3-4-17-9(5-6)12(19)18-8-2-1-7(14)10(15)11(8)16/h1-5H,(H,18,19)
InChIKeyJROPCTGJJNUNBQ-UHFFFAOYSA-N
MW286.64 g/mol
LogP3.40
Rot. Bonds2

About 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 30430877) has the molecular formula C12H6ClF3N2O and a molecular weight of 286.64 g/mol. Its IUPAC name is 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID30430877
Molecular FormulaC12H6ClF3N2O
Molecular Weight286.64 g/mol
Exact Mass286.01
IUPAC Name4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(Cl)ccn1
InChIInChI=1S/C12H6ClF3N2O/c13-6-3-4-17-9(5-6)12(19)18-8-2-1-7(14)10(15)11(8)16/h1-5H,(H,18,19)
InChIKeyJROPCTGJJNUNBQ-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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060
4-chloro-N-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carboxamide
CID 115279672
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 30430877) is 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is JROPCTGJJNUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N2O/c13-6-3-4-17-9(5-6)12(19)18-8-2-1-7(14)10(15)11(8)16/h1-5H,(H,18,19).
What are the key properties of 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide 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 4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 30430877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).