2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine

C15H15BrFN3O — CID 43261742

IUPAC2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(F)cc2Br)nc1OCC1CC1
InChIInChI=1S/C15H15BrFN3O/c16-11-7-10(17)3-5-13(11)19-14-6-4-12(18)15(20-14)21-8-9-1-2-9/h3-7,9H,1-2,8,18H2,(H,19,20)
InChIKeyBWUBUMBHMKVKDC-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.10
Rot. Bonds5

About 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine

2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine (PubChem CID 43261742) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
PubChem CID43261742
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccc(F)cc2Br)nc1OCC1CC1
InChIInChI=1S/C15H15BrFN3O/c16-11-7-10(17)3-5-13(11)19-14-6-4-12(18)15(20-14)21-8-9-1-2-9/h3-7,9H,1-2,8,18H2,(H,19,20)
InChIKeyBWUBUMBHMKVKDC-UHFFFAOYSA-N
XLogP4.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine (CID 43261742) is 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine is Nc1ccc(Nc2ccc(F)cc2Br)nc1OCC1CC1.
What is the InChIKey of 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
The InChIKey is BWUBUMBHMKVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-11-7-10(17)3-5-13(11)19-14-6-4-12(18)15(20-14)21-8-9-1-2-9/h3-7,9H,1-2,8,18H2,(H,19,20).
What are the key properties of 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine?
2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine has a molecular weight of 352.21 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine is sourced from PubChem (CID 43261742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).