N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

C10H8BrFN4O — CID 146408614

IUPACN-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(F)c(Br)n2n1)C1CC1
InChIInChI=1S/C10H8BrFN4O/c11-8-6(12)3-4-7-13-10(15-16(7)8)14-9(17)5-1-2-5/h3-5H,1-2H2,(H,14,15,17)
InChIKeyRZYBZIRVRPNEQS-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.98
Rot. Bonds2

About N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide (PubChem CID 146408614) has the molecular formula C10H8BrFN4O and a molecular weight of 299.10 g/mol. Its IUPAC name is N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
PubChem CID146408614
Molecular FormulaC10H8BrFN4O
Molecular Weight299.10 g/mol
Exact Mass297.99
IUPAC NameN-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(F)c(Br)n2n1)C1CC1
InChIInChI=1S/C10H8BrFN4O/c11-8-6(12)3-4-7-13-10(15-16(7)8)14-9(17)5-1-2-5/h3-5H,1-2H2,(H,14,15,17)
InChIKeyRZYBZIRVRPNEQS-UHFFFAOYSA-N
XLogP1.98
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 54771546
N-(5-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 139387363
N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597468
N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 135894059
N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374735
N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohexyl]-1-fluorocyclopropane-1-carboxamide
CID 139387335
N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67330143
N-[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589894
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597961
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[5-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopentanecarboxamide
CID 59437462

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide (CID 146408614) is N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2ccc(F)c(Br)n2n1)C1CC1.
What is the InChIKey of N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide?
The InChIKey is RZYBZIRVRPNEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O/c11-8-6(12)3-4-7-13-10(15-16(7)8)14-9(17)5-1-2-5/h3-5H,1-2H2,(H,14,15,17).
What are the key properties of N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide?
N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide has a molecular weight of 299.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 146408614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).