5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide

C11H14BrClN2O — CID 70896660

IUPAC5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-11(2,3)6-15-10(16)9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyYWFAHPFDNZMAKL-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide

5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide (PubChem CID 70896660) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
PubChem CID70896660
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
SMILESCC(C)(C)CNC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-11(2,3)6-15-10(16)9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,15,16)
InChIKeyYWFAHPFDNZMAKL-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 155923576
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 172610049
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
CID 104858028
3-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 140754648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide (CID 70896660) is 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide is CC(C)(C)CNC(=O)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
The InChIKey is YWFAHPFDNZMAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-11(2,3)6-15-10(16)9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide?
5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide has a molecular weight of 305.60 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 70896660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).