5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide

C11H14BrClN2O2 — CID 113339390

IUPAC5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O2/c1-2-15(4-3-5-16)11(17)9-6-8(12)7-14-10(9)13/h6-7,16H,2-5H2,1H3
InChIKeyHNIAWIAHBUWQPW-UHFFFAOYSA-N
MW321.60 g/mol
LogP2.34
Rot. Bonds5

About 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 113339390) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID113339390
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O2/c1-2-15(4-3-5-16)11(17)9-6-8(12)7-14-10(9)13/h6-7,16H,2-5H2,1H3
InChIKeyHNIAWIAHBUWQPW-UHFFFAOYSA-N
XLogP2.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 114046044
5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
5-bromo-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 62000655
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474
5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 113236092
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
CID 103855583
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62001227
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide (CID 113339390) is 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide is CCN(CCCO)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is HNIAWIAHBUWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-2-15(4-3-5-16)11(17)9-6-8(12)7-14-10(9)13/h6-7,16H,2-5H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 321.60 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 113339390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).