2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine

C19H16Cl2FN3 — CID 59007772

IUPAC2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine
SMILESCC(C)Nc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C19H16Cl2FN3/c1-11(2)24-16-10-15(14-8-3-4-9-23-14)25-19(21)18(16)17-12(20)6-5-7-13(17)22/h3-11H,1-2H3,(H,24,25)
InChIKeyNODHTNLVIVMXLT-UHFFFAOYSA-N
MW376.26 g/mol
LogP6.08
Rot. Bonds4

About 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine

2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine (PubChem CID 59007772) has the molecular formula C19H16Cl2FN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine
PubChem CID59007772
Molecular FormulaC19H16Cl2FN3
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine
SMILESCC(C)Nc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C19H16Cl2FN3/c1-11(2)24-16-10-15(14-8-3-4-9-23-14)25-19(21)18(16)17-12(20)6-5-7-13(17)22/h3-11H,1-2H3,(H,24,25)
InChIKeyNODHTNLVIVMXLT-UHFFFAOYSA-N
XLogP6.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine?
The IUPAC name of 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine (CID 59007772) is 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine is CC(C)Nc1cc(-c2ccccn2)nc(Cl)c1-c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine?
The InChIKey is NODHTNLVIVMXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3/c1-11(2)24-16-10-15(14-8-3-4-9-23-14)25-19(21)18(16)17-12(20)6-5-7-13(17)22/h3-11H,1-2H3,(H,24,25).
What are the key properties of 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine?
2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine has a molecular weight of 376.26 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloro-6-fluorophenyl)-N-propan-2-yl-6-pyridin-2-ylpyridin-4-amine is sourced from PubChem (CID 59007772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).