5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide

C10H12BrClN2O2 — CID 62334858

IUPAC5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2/c1-6(15)5-14(2)10(16)8-3-7(11)4-13-9(8)12/h3-4,6,15H,5H2,1-2H3
InChIKeyCNLNCEITTCKBJP-UHFFFAOYSA-N
MW307.58 g/mol
LogP1.95
Rot. Bonds3

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

5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide (PubChem CID 62334858) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
PubChem CID62334858
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2/c1-6(15)5-14(2)10(16)8-3-7(11)4-13-9(8)12/h3-4,6,15H,5H2,1-2H3
InChIKeyCNLNCEITTCKBJP-UHFFFAOYSA-N
XLogP1.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide (CID 62334858) is 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide is CC(O)CN(C)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide?
The InChIKey is CNLNCEITTCKBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-6(15)5-14(2)10(16)8-3-7(11)4-13-9(8)12/h3-4,6,15H,5H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide?
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide has a molecular weight of 307.58 g/mol, XLogP of 1.95, 3 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-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62334858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).