5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide

C14H10BrN5O — CID 99797834

IUPAC5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(Br)cn1
InChIInChI=1S/C14H10BrN5O/c15-10-1-6-13(16-7-10)14(21)19-11-2-4-12(5-3-11)20-8-17-18-9-20/h1-9H,(H,19,21)
InChIKeyBKPWZTPPSSAQIO-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide

5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide (PubChem CID 99797834) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide
PubChem CID99797834
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(Br)cn1
InChIInChI=1S/C14H10BrN5O/c15-10-1-6-13(16-7-10)14(21)19-11-2-4-12(5-3-11)20-8-17-18-9-20/h1-9H,(H,19,21)
InChIKeyBKPWZTPPSSAQIO-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
5-bromo-N-[4-(triazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62954396
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 51701461
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190
5-bromo-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62953575
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide (CID 99797834) is 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is BKPWZTPPSSAQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-10-1-6-13(16-7-10)14(21)19-11-2-4-12(5-3-11)20-8-17-18-9-20/h1-9H,(H,19,21).
What are the key properties of 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide?
5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 344.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 99797834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).