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

C9H8BrClF2N2O2 — CID 104858028

IUPAC5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H8BrClF2N2O2/c10-5-1-6(7(11)14-2-5)8(17)15-3-9(12,13)4-16/h1-2,16H,3-4H2,(H,15,17)
InChIKeyKPYZIOYSCIPNDA-UHFFFAOYSA-N
MW329.53 g/mol
LogP1.85
Rot. Bonds4

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

5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 104858028) has the molecular formula C9H8BrClF2N2O2 and a molecular weight of 329.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID104858028
Molecular FormulaC9H8BrClF2N2O2
Molecular Weight329.53 g/mol
Exact Mass327.94
IUPAC Name5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H8BrClF2N2O2/c10-5-1-6(7(11)14-2-5)8(17)15-3-9(12,13)4-16/h1-2,16H,3-4H2,(H,15,17)
InChIKeyKPYZIOYSCIPNDA-UHFFFAOYSA-N
XLogP1.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 51.85
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

N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049
5-bromo-2-chloro-N-(2-methylsulfanylpropyl)pyridine-3-carboxamide
CID 115759495
5-bromo-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 99355657
5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 155923576
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide
CID 114152440
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115604487
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide (CID 104858028) is 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide is O=C(NCC(F)(F)CO)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is KPYZIOYSCIPNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2N2O2/c10-5-1-6(7(11)14-2-5)8(17)15-3-9(12,13)4-16/h1-2,16H,3-4H2,(H,15,17).
What are the key properties of 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 329.53 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 104858028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).