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

C9H10ClFN2O — CID 104786575

IUPACN-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
SMILESCC(Cl)CNC(=O)c1cncc(F)c1
InChIInChI=1S/C9H10ClFN2O/c1-6(10)3-13-9(14)7-2-8(11)5-12-4-7/h2,4-6H,3H2,1H3,(H,13,14)
InChIKeyURRYSADPTRVTFQ-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.58
Rot. Bonds3

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

N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide (PubChem CID 104786575) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
PubChem CID104786575
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC NameN-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
SMILESCC(Cl)CNC(=O)c1cncc(F)c1
InChIInChI=1S/C9H10ClFN2O/c1-6(10)3-13-9(14)7-2-8(11)5-12-4-7/h2,4-6H,3H2,1H3,(H,13,14)
InChIKeyURRYSADPTRVTFQ-UHFFFAOYSA-N
XLogP1.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.58
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-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495
5-fluoro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyridine-3-carboxamide
CID 129000479
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 104786143
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide (CID 104786575) is N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide is CC(Cl)CNC(=O)c1cncc(F)c1.
What is the InChIKey of N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is URRYSADPTRVTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-6(10)3-13-9(14)7-2-8(11)5-12-4-7/h2,4-6H,3H2,1H3,(H,13,14).
What are the key properties of N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide?
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 216.64 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).