N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide

C10H12ClFN2O — CID 106845244

IUPACN-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
SMILESO=C(NCCCCCl)c1ccc(F)cn1
InChIInChI=1S/C10H12ClFN2O/c11-5-1-2-6-13-10(15)9-4-3-8(12)7-14-9/h3-4,7H,1-2,5-6H2,(H,13,15)
InChIKeyYXGZIVOCIVHZAE-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.97
Rot. Bonds5

About N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide

N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide (PubChem CID 106845244) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
PubChem CID106845244
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
SMILESO=C(NCCCCCl)c1ccc(F)cn1
InChIInChI=1S/C10H12ClFN2O/c11-5-1-2-6-13-10(15)9-4-3-8(12)7-14-9/h3-4,7H,1-2,5-6H2,(H,13,15)
InChIKeyYXGZIVOCIVHZAE-UHFFFAOYSA-N
XLogP1.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526510
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318
N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
CID 104643161
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
5-chloro-N-(4-iodobutyl)pyridine-2-carboxamide
CID 106846441
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide (CID 106845244) is N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide is O=C(NCCCCCl)c1ccc(F)cn1.
What is the InChIKey of N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is YXGZIVOCIVHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-5-1-2-6-13-10(15)9-4-3-8(12)7-14-9/h3-4,7H,1-2,5-6H2,(H,13,15).
What are the key properties of N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide?
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 230.67 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 106845244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).