(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine

C11H8Cl2FN3 — CID 79780714

IUPAC(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c12-7-2-9(13)11(17-4-7)10(15)6-1-8(14)5-16-3-6/h1-5,10H,15H2
InChIKeyXJVVTSRQISUOPZ-UHFFFAOYSA-N
MW272.11 g/mol
LogP2.97
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine

(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 79780714) has the molecular formula C11H8Cl2FN3 and a molecular weight of 272.11 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
PubChem CID79780714
Molecular FormulaC11H8Cl2FN3
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESNC(c1cncc(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c12-7-2-9(13)11(17-4-7)10(15)6-1-8(14)5-16-3-6/h1-5,10H,15H2
InChIKeyXJVVTSRQISUOPZ-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine (CID 79780714) is (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine is NC(c1cncc(F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is XJVVTSRQISUOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3/c12-7-2-9(13)11(17-4-7)10(15)6-1-8(14)5-16-3-6/h1-5,10H,15H2.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine?
(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 272.11 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 79780714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).