N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide

C14H12BrFN2O — CID 104786611

IUPACN-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(CCBr)cc1)c1cncc(F)c1
InChIInChI=1S/C14H12BrFN2O/c15-6-5-10-1-3-13(4-2-10)18-14(19)11-7-12(16)9-17-8-11/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyPHPCTAAQWMTVSQ-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide

N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 104786611) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
PubChem CID104786611
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(CCBr)cc1)c1cncc(F)c1
InChIInChI=1S/C14H12BrFN2O/c15-6-5-10-1-3-13(4-2-10)18-14(19)11-7-12(16)9-17-8-11/h1-4,7-9H,5-6H2,(H,18,19)
InChIKeyPHPCTAAQWMTVSQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide
CID 131920050
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide
CID 104672693
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
3-N-[2-(4-fluorophenyl)ethyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106358
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide (CID 104786611) is N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide is O=C(Nc1ccc(CCBr)cc1)c1cncc(F)c1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is PHPCTAAQWMTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-6-5-10-1-3-13(4-2-10)18-14(19)11-7-12(16)9-17-8-11/h1-4,7-9H,5-6H2,(H,18,19).
What are the key properties of N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide?
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).