6-[(4-chlorophenyl)methyl]pyridin-2-amine

C12H11ClN2 — CID 151591234

IUPAC6-[(4-chlorophenyl)methyl]pyridin-2-amine
SMILESNc1cccc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2/c13-10-6-4-9(5-7-10)8-11-2-1-3-12(14)15-11/h1-7H,8H2,(H2,14,15)
InChIKeyQINVOMDNMMKTRD-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.91
Rot. Bonds2

About 6-[(4-chlorophenyl)methyl]pyridin-2-amine

6-[(4-chlorophenyl)methyl]pyridin-2-amine (PubChem CID 151591234) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]pyridin-2-amine
PubChem CID151591234
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name6-[(4-chlorophenyl)methyl]pyridin-2-amine
SMILESNc1cccc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2/c13-10-6-4-9(5-7-10)8-11-2-1-3-12(14)15-11/h1-7H,8H2,(H2,14,15)
InChIKeyQINVOMDNMMKTRD-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-[(4-chlorophenyl)methyl]pyridin-2-amine (CID 151591234) is 6-[(4-chlorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]pyridin-2-amine is Nc1cccc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]pyridin-2-amine?
The InChIKey is QINVOMDNMMKTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-6-4-9(5-7-10)8-11-2-1-3-12(14)15-11/h1-7H,8H2,(H2,14,15).
What are the key properties of 6-[(4-chlorophenyl)methyl]pyridin-2-amine?
6-[(4-chlorophenyl)methyl]pyridin-2-amine has a molecular weight of 218.69 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 151591234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).