2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine

C19H17ClFN3 — CID 144881581

IUPAC2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1
InChIInChI=1S/C19H17ClFN3/c1-12(2)16-11-23-18(15-9-13(20)3-4-17(15)21)10-19(16)24-14-5-7-22-8-6-14/h3-12H,1-2H3,(H,22,23,24)
InChIKeyJVKIXSZMERZEPZ-UHFFFAOYSA-N
MW341.82 g/mol
LogP5.80
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine

2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine (PubChem CID 144881581) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine
PubChem CID144881581
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1
InChIInChI=1S/C19H17ClFN3/c1-12(2)16-11-23-18(15-9-13(20)3-4-17(15)21)10-19(16)24-14-5-7-22-8-6-14/h3-12H,1-2H3,(H,22,23,24)
InChIKeyJVKIXSZMERZEPZ-UHFFFAOYSA-N
XLogP5.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.82
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine (CID 144881581) is 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine is CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine?
The InChIKey is JVKIXSZMERZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c1-12(2)16-11-23-18(15-9-13(20)3-4-17(15)21)10-19(16)24-14-5-7-22-8-6-14/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine has a molecular weight of 341.82 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-N-pyridin-4-ylpyridin-4-amine is sourced from PubChem (CID 144881581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).