2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile

C13H10ClN3 — CID 17393162

IUPAC2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccccn1
InChIInChI=1S/C13H10ClN3/c14-12-5-3-6-13(11(12)8-15)17-9-10-4-1-2-7-16-10/h1-7,17H,9H2
InChIKeyFVDWLBAGKLAZAW-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile

2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile (PubChem CID 17393162) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
PubChem CID17393162
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
SMILESN#Cc1c(Cl)cccc1NCc1ccccn1
InChIInChI=1S/C13H10ClN3/c14-12-5-3-6-13(11(12)8-15)17-9-10-4-1-2-7-16-10/h1-7,17H,9H2
InChIKeyFVDWLBAGKLAZAW-UHFFFAOYSA-N
XLogP3.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile?
The IUPAC name of 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile (CID 17393162) is 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile?
The canonical SMILES for 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile is N#Cc1c(Cl)cccc1NCc1ccccn1.
What is the InChIKey of 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile?
The InChIKey is FVDWLBAGKLAZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-12-5-3-6-13(11(12)8-15)17-9-10-4-1-2-7-16-10/h1-7,17H,9H2.
What are the key properties of 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile?
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile has a molecular weight of 243.70 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile is sourced from PubChem (CID 17393162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).