3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide

C11H14BrClN2O — CID 107526234

IUPAC3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)C(CCl)NC(=O)c1ncccc1Br
InChIInChI=1S/C11H14BrClN2O/c1-7(2)9(6-13)15-11(16)10-8(12)4-3-5-14-10/h3-5,7,9H,6H2,1-2H3,(H,15,16)
InChIKeyOCKIZXVYXMSODT-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.84
Rot. Bonds4

About 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide

3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 107526234) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID107526234
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)C(CCl)NC(=O)c1ncccc1Br
InChIInChI=1S/C11H14BrClN2O/c1-7(2)9(6-13)15-11(16)10-8(12)4-3-5-14-10/h3-5,7,9H,6H2,1-2H3,(H,15,16)
InChIKeyOCKIZXVYXMSODT-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.84
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

3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-hexan-3-ylpyridine-2-carboxamide
CID 107518890
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518059
3-bromo-N-(1-cyclobutylethyl)pyridine-2-carboxamide
CID 107519381

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide (CID 107526234) is 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide is CC(C)C(CCl)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is OCKIZXVYXMSODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-7(2)9(6-13)15-11(16)10-8(12)4-3-5-14-10/h3-5,7,9H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide?
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 305.60 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107526234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).