5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine

C23H25ClFN3 — CID 163236156

IUPAC5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1nc(-c2ccccc2F)c(Cl)cc1N
InChIInChI=1S/C23H25ClFN3/c1-13(2)15-9-7-10-16(14(3)4)21(15)27-23-20(26)12-18(24)22(28-23)17-8-5-6-11-19(17)25/h5-14H,26H2,1-4H3,(H,27,28)
InChIKeyAHJBUPSQFHLFAH-UHFFFAOYSA-N
MW397.93 g/mol
LogP7.11
Rot. Bonds5

About 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine

5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine (PubChem CID 163236156) has the molecular formula C23H25ClFN3 and a molecular weight of 397.93 g/mol. Its IUPAC name is 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine
PubChem CID163236156
Molecular FormulaC23H25ClFN3
Molecular Weight397.93 g/mol
Exact Mass397.17
IUPAC Name5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine
SMILESCC(C)c1cccc(C(C)C)c1Nc1nc(-c2ccccc2F)c(Cl)cc1N
InChIInChI=1S/C23H25ClFN3/c1-13(2)15-9-7-10-16(14(3)4)21(15)27-23-20(26)12-18(24)22(28-23)17-8-5-6-11-19(17)25/h5-14H,26H2,1-4H3,(H,27,28)
InChIKeyAHJBUPSQFHLFAH-UHFFFAOYSA-N
XLogP7.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.93
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine (CID 163236156) is 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine is CC(C)c1cccc(C(C)C)c1Nc1nc(-c2ccccc2F)c(Cl)cc1N.
What is the InChIKey of 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine?
The InChIKey is AHJBUPSQFHLFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3/c1-13(2)15-9-7-10-16(14(3)4)21(15)27-23-20(26)12-18(24)22(28-23)17-8-5-6-11-19(17)25/h5-14H,26H2,1-4H3,(H,27,28).
What are the key properties of 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine?
5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine has a molecular weight of 397.93 g/mol, XLogP of 7.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-[2,6-di(propan-2-yl)phenyl]-6-(2-fluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 163236156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).