(4-chlorophenyl)-pyridin-3-ylmethanamine

C12H11ClN2 — CID 6498817

IUPAC(4-chlorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C12H11ClN2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h1-8,12H,14H2
InChIKeyBGUVQMLTPOSSPH-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.78
Rot. Bonds2

About (4-chlorophenyl)-pyridin-3-ylmethanamine

(4-chlorophenyl)-pyridin-3-ylmethanamine (PubChem CID 6498817) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is (4-chlorophenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-pyridin-3-ylmethanamine
PubChem CID6498817
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name(4-chlorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C12H11ClN2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h1-8,12H,14H2
InChIKeyBGUVQMLTPOSSPH-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (4-chlorophenyl)-pyridin-3-ylmethanamine (CID 6498817) is (4-chlorophenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (4-chlorophenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (4-chlorophenyl)-pyridin-3-ylmethanamine is NC(c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of (4-chlorophenyl)-pyridin-3-ylmethanamine?
The InChIKey is BGUVQMLTPOSSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-11-5-3-9(4-6-11)12(14)10-2-1-7-15-8-10/h1-8,12H,14H2.
What are the key properties of (4-chlorophenyl)-pyridin-3-ylmethanamine?
(4-chlorophenyl)-pyridin-3-ylmethanamine has a molecular weight of 218.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 6498817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).