5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide

C14H10BrClF2N2O — CID 62000639

IUPAC5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H10BrClF2N2O/c1-7(10-5-9(17)2-3-12(10)18)20-14(21)11-4-8(15)6-19-13(11)16/h2-7H,1H3,(H,20,21)
InChIKeyFZLFIUGYSKVFNA-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 62000639) has the molecular formula C14H10BrClF2N2O and a molecular weight of 375.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID62000639
Molecular FormulaC14H10BrClF2N2O
Molecular Weight375.60 g/mol
Exact Mass373.96
IUPAC Name5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(Br)cnc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C14H10BrClF2N2O/c1-7(10-5-9(17)2-3-12(10)18)20-14(21)11-4-8(15)6-19-13(11)16/h2-7H,1H3,(H,20,21)
InChIKeyFZLFIUGYSKVFNA-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 63500588
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
3-bromo-N-[1-(2,5-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852163
2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 62160777
(2S,3R)-2-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037234
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
CID 82818718
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
2,5-dichloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114917734

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide (CID 62000639) is 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cc(Br)cnc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is FZLFIUGYSKVFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N2O/c1-7(10-5-9(17)2-3-12(10)18)20-14(21)11-4-8(15)6-19-13(11)16/h2-7H,1H3,(H,20,21).
What are the key properties of 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 375.60 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(2,5-difluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 62000639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).