3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine

C16H12BrFN4O — CID 122508246

IUPAC3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(-c2nc(N)c(Br)cc2-c2ccncc2F)cn1
InChIInChI=1S/C16H12BrFN4O/c1-23-14-3-2-9(7-21-14)15-11(6-12(17)16(19)22-15)10-4-5-20-8-13(10)18/h2-8H,1H3,(H2,19,22)
InChIKeyHUIXCODZECQTPN-UHFFFAOYSA-N
MW375.20 g/mol
LogP3.70
Rot. Bonds3

About 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine

3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine (PubChem CID 122508246) has the molecular formula C16H12BrFN4O and a molecular weight of 375.20 g/mol. Its IUPAC name is 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
PubChem CID122508246
Molecular FormulaC16H12BrFN4O
Molecular Weight375.20 g/mol
Exact Mass374.02
IUPAC Name3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(-c2nc(N)c(Br)cc2-c2ccncc2F)cn1
InChIInChI=1S/C16H12BrFN4O/c1-23-14-3-2-9(7-21-14)15-11(6-12(17)16(19)22-15)10-4-5-20-8-13(10)18/h2-8H,1H3,(H2,19,22)
InChIKeyHUIXCODZECQTPN-UHFFFAOYSA-N
XLogP3.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine (CID 122508246) is 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine is COc1ccc(-c2nc(N)c(Br)cc2-c2ccncc2F)cn1.
What is the InChIKey of 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The InChIKey is HUIXCODZECQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O/c1-23-14-3-2-9(7-21-14)15-11(6-12(17)16(19)22-15)10-4-5-20-8-13(10)18/h2-8H,1H3,(H2,19,22).
What are the key properties of 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine?
3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine has a molecular weight of 375.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-fluoro-4-pyridinyl)-6-(6-methoxy-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 122508246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).