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

C13H9BrF2N2O2 — CID 62953190

IUPAC5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF2N2O2/c14-8-1-6-11(17-7-8)12(19)18-9-2-4-10(5-3-9)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyXDLVRVNGMXJOOF-UHFFFAOYSA-N
MW343.13 g/mol
LogP3.70
Rot. Bonds4

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

5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 62953190) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID62953190
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC Name5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF2N2O2/c14-8-1-6-11(17-7-8)12(19)18-9-2-4-10(5-3-9)20-13(15)16/h1-7,13H,(H,18,19)
InChIKeyXDLVRVNGMXJOOF-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
6-chloro-N-[4-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 103186812
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine
CID 61373209
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
6-amino-N-[4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62154747
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
5-bromo-N-[4-(triazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62954396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide (CID 62953190) is 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is XDLVRVNGMXJOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c14-8-1-6-11(17-7-8)12(19)18-9-2-4-10(5-3-9)20-13(15)16/h1-7,13H,(H,18,19).
What are the key properties of 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide?
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 62953190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).