2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide

C9H9BrF2N2O2 — CID 103770404

IUPAC2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccnc(Br)c1
InChIInChI=1S/C9H9BrF2N2O2/c10-7-3-5(1-2-13-7)9(16)14-4-6(15)8(11)12/h1-3,6,8,15H,4H2,(H,14,16)
InChIKeyLRVLQCBCJLRDGU-UHFFFAOYSA-N
MW295.08 g/mol
LogP1.20
Rot. Bonds4

About 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide

2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 103770404) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
PubChem CID103770404
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Name2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccnc(Br)c1
InChIInChI=1S/C9H9BrF2N2O2/c10-7-3-5(1-2-13-7)9(16)14-4-6(15)8(11)12/h1-3,6,8,15H,4H2,(H,14,16)
InChIKeyLRVLQCBCJLRDGU-UHFFFAOYSA-N
XLogP1.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 104844460
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
CID 106164264
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 103753941
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
CID 103770519
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
N-(3,3-difluoro-2-hydroxypropyl)-2,3-difluoropyridine-4-carboxamide
CID 107470818
2-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 113278377

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide (CID 103770404) is 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide is O=C(NCC(O)C(F)F)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is LRVLQCBCJLRDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c10-7-3-5(1-2-13-7)9(16)14-4-6(15)8(11)12/h1-3,6,8,15H,4H2,(H,14,16).
What are the key properties of 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide?
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 295.08 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103770404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).