2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

C10H9ClF4N2O — CID 103528299

IUPAC2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)C(F)F)cc(Cl)n1
InChIInChI=1S/C10H9ClF4N2O/c1-5-2-6(3-7(11)17-5)8(18)16-4-10(14,15)9(12)13/h2-3,9H,4H2,1H3,(H,16,18)
InChIKeyZZRJYAKMSPLSNH-UHFFFAOYSA-N
MW284.64 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide

2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (PubChem CID 103528299) has the molecular formula C10H9ClF4N2O and a molecular weight of 284.64 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
PubChem CID103528299
Molecular FormulaC10H9ClF4N2O
Molecular Weight284.64 g/mol
Exact Mass284.03
IUPAC Name2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(F)(F)C(F)F)cc(Cl)n1
InChIInChI=1S/C10H9ClF4N2O/c1-5-2-6(3-7(11)17-5)8(18)16-4-10(14,15)9(12)13/h2-3,9H,4H2,1H3,(H,16,18)
InChIKeyZZRJYAKMSPLSNH-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide (CID 103528299) is 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is Cc1cc(C(=O)NCC(F)(F)C(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
The InChIKey is ZZRJYAKMSPLSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O/c1-5-2-6(3-7(11)17-5)8(18)16-4-10(14,15)9(12)13/h2-3,9H,4H2,1H3,(H,16,18).
What are the key properties of 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide?
2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide has a molecular weight of 284.64 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103528299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).