5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine

C16H12BrFN4 — CID 68896846

IUPAC5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine
SMILESNc1cc(-c2cc(Br)c(N)nc2-c2cccc(F)c2)ccn1
InChIInChI=1S/C16H12BrFN4/c17-13-8-12(9-4-5-21-14(19)7-9)15(22-16(13)20)10-2-1-3-11(18)6-10/h1-8H,(H2,19,21)(H2,20,22)
InChIKeyNRCNWKZWGUBNAY-UHFFFAOYSA-N
MW359.20 g/mol
LogP3.88
Rot. Bonds2

About 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine

5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine (PubChem CID 68896846) has the molecular formula C16H12BrFN4 and a molecular weight of 359.20 g/mol. Its IUPAC name is 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine
PubChem CID68896846
Molecular FormulaC16H12BrFN4
Molecular Weight359.20 g/mol
Exact Mass358.02
IUPAC Name5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine
SMILESNc1cc(-c2cc(Br)c(N)nc2-c2cccc(F)c2)ccn1
InChIInChI=1S/C16H12BrFN4/c17-13-8-12(9-4-5-21-14(19)7-9)15(22-16(13)20)10-2-1-3-11(18)6-10/h1-8H,(H2,19,21)(H2,20,22)
InChIKeyNRCNWKZWGUBNAY-UHFFFAOYSA-N
XLogP3.88
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine?
The IUPAC name of 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine (CID 68896846) is 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine is Nc1cc(-c2cc(Br)c(N)nc2-c2cccc(F)c2)ccn1.
What is the InChIKey of 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine?
The InChIKey is NRCNWKZWGUBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4/c17-13-8-12(9-4-5-21-14(19)7-9)15(22-16(13)20)10-2-1-3-11(18)6-10/h1-8H,(H2,19,21)(H2,20,22).
What are the key properties of 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine?
5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine has a molecular weight of 359.20 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-pyridinyl)-3-bromo-6-(3-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 68896846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).