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

C12H11ClN2 — CID 82393115

IUPAC2-(3-chloro-2-methylphenyl)pyridin-3-amine
SMILESCc1c(Cl)cccc1-c1ncccc1N
InChIInChI=1S/C12H11ClN2/c1-8-9(4-2-5-10(8)13)12-11(14)6-3-7-15-12/h2-7H,14H2,1H3
InChIKeyBRDMEVMEVGPHHK-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.29
Rot. Bonds1

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

2-(3-chloro-2-methylphenyl)pyridin-3-amine (PubChem CID 82393115) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)pyridin-3-amine
PubChem CID82393115
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-(3-chloro-2-methylphenyl)pyridin-3-amine
SMILESCc1c(Cl)cccc1-c1ncccc1N
InChIInChI=1S/C12H11ClN2/c1-8-9(4-2-5-10(8)13)12-11(14)6-3-7-15-12/h2-7H,14H2,1H3
InChIKeyBRDMEVMEVGPHHK-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)pyridin-3-amine?
The IUPAC name of 2-(3-chloro-2-methylphenyl)pyridin-3-amine (CID 82393115) is 2-(3-chloro-2-methylphenyl)pyridin-3-amine.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)pyridin-3-amine?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)pyridin-3-amine is Cc1c(Cl)cccc1-c1ncccc1N.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)pyridin-3-amine?
The InChIKey is BRDMEVMEVGPHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-8-9(4-2-5-10(8)13)12-11(14)6-3-7-15-12/h2-7H,14H2,1H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)pyridin-3-amine?
2-(3-chloro-2-methylphenyl)pyridin-3-amine has a molecular weight of 218.69 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 82393115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).