5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine

C15H16ClFN2O — CID 146296320

IUPAC5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine
SMILESCOc1nc(C(C)C)c(N)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C15H16ClFN2O/c1-8(2)14-13(18)7-11(15(19-14)20-3)10-6-9(16)4-5-12(10)17/h4-8H,18H2,1-3H3
InChIKeyRCBDKJCDZLTLGD-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.26
Rot. Bonds3

About 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine

5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine (PubChem CID 146296320) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine
PubChem CID146296320
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine
SMILESCOc1nc(C(C)C)c(N)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C15H16ClFN2O/c1-8(2)14-13(18)7-11(15(19-14)20-3)10-6-9(16)4-5-12(10)17/h4-8H,18H2,1-3H3
InChIKeyRCBDKJCDZLTLGD-UHFFFAOYSA-N
XLogP4.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine (CID 146296320) is 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine is COc1nc(C(C)C)c(N)cc1-c1cc(Cl)ccc1F.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine?
The InChIKey is RCBDKJCDZLTLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-8(2)14-13(18)7-11(15(19-14)20-3)10-6-9(16)4-5-12(10)17/h4-8H,18H2,1-3H3.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine?
5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine has a molecular weight of 294.76 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 146296320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).