5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine

C16H13FN2 — CID 83170406

IUPAC5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc(F)c3ccccc23)cnc1N
InChIInChI=1S/C16H13FN2/c1-10-8-11(9-19-16(10)18)12-6-7-15(17)14-5-3-2-4-13(12)14/h2-9H,1H3,(H2,18,19)
InChIKeyPOJRAWWGJJCOGB-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.93
Rot. Bonds1

About 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine

5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine (PubChem CID 83170406) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine
PubChem CID83170406
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc(F)c3ccccc23)cnc1N
InChIInChI=1S/C16H13FN2/c1-10-8-11(9-19-16(10)18)12-6-7-15(17)14-5-3-2-4-13(12)14/h2-9H,1H3,(H2,18,19)
InChIKeyPOJRAWWGJJCOGB-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine?
The IUPAC name of 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine (CID 83170406) is 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine is Cc1cc(-c2ccc(F)c3ccccc23)cnc1N.
What is the InChIKey of 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine?
The InChIKey is POJRAWWGJJCOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c1-10-8-11(9-19-16(10)18)12-6-7-15(17)14-5-3-2-4-13(12)14/h2-9H,1H3,(H2,18,19).
What are the key properties of 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine?
5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine has a molecular weight of 252.29 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine is sourced from PubChem (CID 83170406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).