2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine

C14H14Cl2FN3O — CID 83077911

IUPAC2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2c(Cl)cc(F)cc2Cl)ccc1N
InChIInChI=1S/C14H14Cl2FN3O/c1-7(2)21-14-11(18)3-4-12(20-14)19-13-9(15)5-8(17)6-10(13)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyURVQWDKXZHFUIX-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.64
Rot. Bonds4

About 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 83077911) has the molecular formula C14H14Cl2FN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID83077911
Molecular FormulaC14H14Cl2FN3O
Molecular Weight330.19 g/mol
Exact Mass329.05
IUPAC Name2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(Nc2c(Cl)cc(F)cc2Cl)ccc1N
InChIInChI=1S/C14H14Cl2FN3O/c1-7(2)21-14-11(18)3-4-12(20-14)19-13-9(15)5-8(17)6-10(13)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyURVQWDKXZHFUIX-UHFFFAOYSA-N
XLogP4.64
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 83077911) is 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(Nc2c(Cl)cc(F)cc2Cl)ccc1N.
What is the InChIKey of 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is URVQWDKXZHFUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O/c1-7(2)21-14-11(18)3-4-12(20-14)19-13-9(15)5-8(17)6-10(13)16/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 330.19 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 83077911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).