N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine

C10H10ClF3N2 — CID 106196196

IUPACN-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESC=CCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c1-2-3-4-15-9-6-7(10(12,13)14)5-8(11)16-9/h2,5-6H,1,3-4H2,(H,15,16)
InChIKeyIERCKOFBFRWBEP-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.74
Rot. Bonds4

About N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine

N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106196196) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106196196
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC NameN-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
SMILESC=CCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c1-2-3-4-15-9-6-7(10(12,13)14)5-8(11)16-9/h2,5-6H,1,3-4H2,(H,15,16)
InChIKeyIERCKOFBFRWBEP-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine (CID 106196196) is N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine is C=CCCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IERCKOFBFRWBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c1-2-3-4-15-9-6-7(10(12,13)14)5-8(11)16-9/h2,5-6H,1,3-4H2,(H,15,16).
What are the key properties of N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine?
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 250.65 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106196196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).