5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine

C12H6ClF5N2 — CID 170909824

IUPAC5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
SMILESNc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(CCl)c1
InChIInChI=1S/C12H6ClF5N2/c13-2-4-1-5(19)3-20-12(4)6-7(14)9(16)11(18)10(17)8(6)15/h1,3H,2,19H2
InChIKeyXJYDRWFQVICSIT-UHFFFAOYSA-N
MW308.64 g/mol
LogP3.77
Rot. Bonds2

About 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine

5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine (PubChem CID 170909824) has the molecular formula C12H6ClF5N2 and a molecular weight of 308.64 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
PubChem CID170909824
Molecular FormulaC12H6ClF5N2
Molecular Weight308.64 g/mol
Exact Mass308.01
IUPAC Name5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine
SMILESNc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(CCl)c1
InChIInChI=1S/C12H6ClF5N2/c13-2-4-1-5(19)3-20-12(4)6-7(14)9(16)11(18)10(17)8(6)15/h1,3H,2,19H2
InChIKeyXJYDRWFQVICSIT-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The IUPAC name of 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine (CID 170909824) is 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine.
What is the SMILES notation for 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The canonical SMILES for 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine is Nc1cnc(-c2c(F)c(F)c(F)c(F)c2F)c(CCl)c1.
What is the InChIKey of 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
The InChIKey is XJYDRWFQVICSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF5N2/c13-2-4-1-5(19)3-20-12(4)6-7(14)9(16)11(18)10(17)8(6)15/h1,3H,2,19H2.
What are the key properties of 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine?
5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine has a molecular weight of 308.64 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(2,3,4,5,6-pentafluorophenyl)pyridin-3-amine is sourced from PubChem (CID 170909824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).