N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide

C10H12ClFN2O — CID 104643146

IUPACN-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
SMILESCC(Cl)CCNC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H12ClFN2O/c1-7(11)4-5-13-10(15)9-3-2-8(12)6-14-9/h2-3,6-7H,4-5H2,1H3,(H,13,15)
InChIKeyVUUUDKFPJCIZJA-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.97
Rot. Bonds4

About N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide

N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide (PubChem CID 104643146) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
PubChem CID104643146
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
SMILESCC(Cl)CCNC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H12ClFN2O/c1-7(11)4-5-13-10(15)9-3-2-8(12)6-14-9/h2-3,6-7H,4-5H2,1H3,(H,13,15)
InChIKeyVUUUDKFPJCIZJA-UHFFFAOYSA-N
XLogP1.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
CID 103492499
2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526510
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
CID 106288255
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 104638404

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide (CID 104643146) is N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide is CC(Cl)CCNC(=O)c1ccc(F)cn1.
What is the InChIKey of N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is VUUUDKFPJCIZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-7(11)4-5-13-10(15)9-3-2-8(12)6-14-9/h2-3,6-7H,4-5H2,1H3,(H,13,15).
What are the key properties of N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide?
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 230.67 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104643146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).