5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H7BrClF3N2O — CID 116700198

IUPAC5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H7BrClF3N2O/c14-8-1-2-11(19-6-8)12(21)20-10-4-7(13(16,17)18)3-9(15)5-10/h1-6H,(H,20,21)
InChIKeyGBDAPEYZYOVVQG-UHFFFAOYSA-N
MW379.56 g/mol
LogP4.77
Rot. Bonds2

About 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 116700198) has the molecular formula C13H7BrClF3N2O and a molecular weight of 379.56 g/mol. Its IUPAC name is 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID116700198
Molecular FormulaC13H7BrClF3N2O
Molecular Weight379.56 g/mol
Exact Mass377.94
IUPAC Name5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H7BrClF3N2O/c14-8-1-2-11(19-6-8)12(21)20-10-4-7(13(16,17)18)3-9(15)5-10/h1-6H,(H,20,21)
InChIKeyGBDAPEYZYOVVQG-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-hydroxypyridine-4-carboxamide
CID 116700273
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
CID 107036187
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 81343082
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
3-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 116698677
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 116700198) is 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is GBDAPEYZYOVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3N2O/c14-8-1-2-11(19-6-8)12(21)20-10-4-7(13(16,17)18)3-9(15)5-10/h1-6H,(H,20,21).
What are the key properties of 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 379.56 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 116700198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).