N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide

C10H8ClF3N2O — CID 118862306

IUPACN-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)n1)C1CC1
InChIInChI=1S/C10H8ClF3N2O/c11-7-3-6(10(12,13)14)4-8(15-7)16-9(17)5-1-2-5/h3-5H,1-2H2,(H,15,16,17)
InChIKeyKDNISTNZBOIQQN-UHFFFAOYSA-N
MW264.63 g/mol
LogP3.10
Rot. Bonds2

About N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide

N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 118862306) has the molecular formula C10H8ClF3N2O and a molecular weight of 264.63 g/mol. Its IUPAC name is N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID118862306
Molecular FormulaC10H8ClF3N2O
Molecular Weight264.63 g/mol
Exact Mass264.03
IUPAC NameN-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)n1)C1CC1
InChIInChI=1S/C10H8ClF3N2O/c11-7-3-6(10(12,13)14)4-8(15-7)16-9(17)5-1-2-5/h3-5H,1-2H2,(H,15,16,17)
InChIKeyKDNISTNZBOIQQN-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide (CID 118862306) is N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)C1CC1.
What is the InChIKey of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is KDNISTNZBOIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O/c11-7-3-6(10(12,13)14)4-8(15-7)16-9(17)5-1-2-5/h3-5H,1-2H2,(H,15,16,17).
What are the key properties of N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide?
N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 264.63 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 118862306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).