N-(5-chloro-2-methylphenyl)pyridin-3-amine

C12H11ClN2 — CID 82536338

IUPACN-(5-chloro-2-methylphenyl)pyridin-3-amine
SMILESCc1ccc(Cl)cc1Nc1cccnc1
InChIInChI=1S/C12H11ClN2/c1-9-4-5-10(13)7-12(9)15-11-3-2-6-14-8-11/h2-8,15H,1H3
InChIKeyXCJDBFBGNHRDNI-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.79
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)pyridin-3-amine

N-(5-chloro-2-methylphenyl)pyridin-3-amine (PubChem CID 82536338) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)pyridin-3-amine
PubChem CID82536338
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC NameN-(5-chloro-2-methylphenyl)pyridin-3-amine
SMILESCc1ccc(Cl)cc1Nc1cccnc1
InChIInChI=1S/C12H11ClN2/c1-9-4-5-10(13)7-12(9)15-11-3-2-6-14-8-11/h2-8,15H,1H3
InChIKeyXCJDBFBGNHRDNI-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)pyridin-3-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)pyridin-3-amine (CID 82536338) is N-(5-chloro-2-methylphenyl)pyridin-3-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)pyridin-3-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)pyridin-3-amine is Cc1ccc(Cl)cc1Nc1cccnc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)pyridin-3-amine?
The InChIKey is XCJDBFBGNHRDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-4-5-10(13)7-12(9)15-11-3-2-6-14-8-11/h2-8,15H,1H3.
What are the key properties of N-(5-chloro-2-methylphenyl)pyridin-3-amine?
N-(5-chloro-2-methylphenyl)pyridin-3-amine has a molecular weight of 218.69 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 82536338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).