2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C13H8BrF3N2O — CID 142685767

IUPAC2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cc(C(F)(F)F)ccc2Br)c1
InChIInChI=1S/C13H8BrF3N2O/c14-10-2-1-8(13(15,16)17)6-9(10)11-5-7(12(18)20)3-4-19-11/h1-6H,(H2,18,20)
InChIKeyHIMUFLYSFKZEEQ-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.63
Rot. Bonds2

About 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 142685767) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID142685767
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cc(C(F)(F)F)ccc2Br)c1
InChIInChI=1S/C13H8BrF3N2O/c14-10-2-1-8(13(15,16)17)6-9(10)11-5-7(12(18)20)3-4-19-11/h1-6H,(H2,18,20)
InChIKeyHIMUFLYSFKZEEQ-UHFFFAOYSA-N
XLogP3.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

chloromethane;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 159313551
2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 177139287
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
2-[5-amino-2-methoxy-3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide
CID 177138950
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide
CID 162622394
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
3-(trifluoromethyl)benzaldehyde;3-(trifluoromethyl)benzamide;chloride
CID 157401586
2-[2-bromo-5-(trifluoromethyl)phenyl]-5-iodo-1,3,4-oxadiazole
CID 114771658
3-[2-[4-(bromomethyl)pyrimidin-2-yl]-5-(trifluoromethyl)phenyl]propanamide
CID 68614872

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 142685767) is 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is NC(=O)c1ccnc(-c2cc(C(F)(F)F)ccc2Br)c1.
What is the InChIKey of 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is HIMUFLYSFKZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-10-2-1-8(13(15,16)17)6-9(10)11-5-7(12(18)20)3-4-19-11/h1-6H,(H2,18,20).
What are the key properties of 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 345.12 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 142685767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).