N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide

C11H12BrClN2O — CID 114315736

IUPACN-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
SMILESO=C(NCC(Br)C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C11H12BrClN2O/c12-9(7-1-2-7)6-15-11(16)10-4-3-8(13)5-14-10/h3-5,7,9H,1-2,6H2,(H,15,16)
InChIKeyRBSTVVHSENOQHL-UHFFFAOYSA-N
MW303.59 g/mol
LogP2.64
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide

N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide (PubChem CID 114315736) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
PubChem CID114315736
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
SMILESO=C(NCC(Br)C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C11H12BrClN2O/c12-9(7-1-2-7)6-15-11(16)10-4-3-8(13)5-14-10/h3-5,7,9H,1-2,6H2,(H,15,16)
InChIKeyRBSTVVHSENOQHL-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
CID 114315970
N-(2-bromo-2-cyclopropylethyl)-6-methylpyridine-3-carboxamide
CID 114315764
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
CID 114303054
methyl 2-chloro-3-[(5-chloropyridine-2-carbonyl)amino]propanoate
CID 103492919
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
5-chloro-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 86795852
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
(2S)-2-[[(5-chloropyridine-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 124517125
5-chloro-N-[(2R)-2-(2-oxopiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 99840939
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
CID 116651594
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide (CID 114315736) is N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide is O=C(NCC(Br)C1CC1)c1ccc(Cl)cn1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide?
The InChIKey is RBSTVVHSENOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O/c12-9(7-1-2-7)6-15-11(16)10-4-3-8(13)5-14-10/h3-5,7,9H,1-2,6H2,(H,15,16).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide?
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide has a molecular weight of 303.59 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 114315736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).