5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine

C16H13ClN2 — CID 166321775

IUPAC5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc3cc(Cl)ccc3c2)cnc1N
InChIInChI=1S/C16H13ClN2/c1-10-6-14(9-19-16(10)18)12-2-3-13-8-15(17)5-4-11(13)7-12/h2-9H,1H3,(H2,18,19)
InChIKeyZIHGBWNNALXVPE-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.45
Rot. Bonds1

About 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine

5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine (PubChem CID 166321775) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine
PubChem CID166321775
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc3cc(Cl)ccc3c2)cnc1N
InChIInChI=1S/C16H13ClN2/c1-10-6-14(9-19-16(10)18)12-2-3-13-8-15(17)5-4-11(13)7-12/h2-9H,1H3,(H2,18,19)
InChIKeyZIHGBWNNALXVPE-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine?
The IUPAC name of 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine (CID 166321775) is 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine is Cc1cc(-c2ccc3cc(Cl)ccc3c2)cnc1N.
What is the InChIKey of 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine?
The InChIKey is ZIHGBWNNALXVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-10-6-14(9-19-16(10)18)12-2-3-13-8-15(17)5-4-11(13)7-12/h2-9H,1H3,(H2,18,19).
What are the key properties of 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine?
5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine has a molecular weight of 268.75 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloronaphthalen-2-yl)-3-methylpyridin-2-amine is sourced from PubChem (CID 166321775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).