N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide

C9H8BrClN2O — CID 103816457

IUPACN-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C9H8BrClN2O/c10-7-3-6(4-12-8(7)11)13-9(14)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyNWPCLRPZYHYQOI-UHFFFAOYSA-N
MW275.53 g/mol
LogP2.85
Rot. Bonds2

About N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide

N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide (PubChem CID 103816457) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
PubChem CID103816457
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)C1CC1
InChIInChI=1S/C9H8BrClN2O/c10-7-3-6(4-12-8(7)11)13-9(14)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyNWPCLRPZYHYQOI-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-6-chloro-3-pyridinyl)thiane-2-carboxamide
CID 104624709
N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 114050445
N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
CID 103730424
N-(6-chloro-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 103730413
N-(5-bromo-6-chloro-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 114050443
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 104624688
N-(5-bromo-6-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 114050566
N-(5-bromo-6-chloro-3-pyridinyl)-3-methyl-2-propan-2-ylbutanamide
CID 114282380
N-(5-bromo-6-chloro-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 104624706
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide (CID 103816457) is N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide is O=C(Nc1cnc(Cl)c(Br)c1)C1CC1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide?
The InChIKey is NWPCLRPZYHYQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c10-7-3-6(4-12-8(7)11)13-9(14)5-1-2-5/h3-5H,1-2H2,(H,13,14).
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide?
N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide has a molecular weight of 275.53 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 103816457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).