2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile

C13H10FN3 — CID 2804358

IUPAC2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCc1cccnc1
InChIInChI=1S/C13H10FN3/c14-12-4-1-5-13(11(12)7-15)17-9-10-3-2-6-16-8-10/h1-6,8,17H,9H2
InChIKeyRTLIEMOQHXGJEE-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.70
Rot. Bonds3

About 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile

2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile (PubChem CID 2804358) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile
PubChem CID2804358
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile
SMILESN#Cc1c(F)cccc1NCc1cccnc1
InChIInChI=1S/C13H10FN3/c14-12-4-1-5-13(11(12)7-15)17-9-10-3-2-6-16-8-10/h1-6,8,17H,9H2
InChIKeyRTLIEMOQHXGJEE-UHFFFAOYSA-N
XLogP2.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile?
The IUPAC name of 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile (CID 2804358) is 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile is N#Cc1c(F)cccc1NCc1cccnc1.
What is the InChIKey of 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile?
The InChIKey is RTLIEMOQHXGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-12-4-1-5-13(11(12)7-15)17-9-10-3-2-6-16-8-10/h1-6,8,17H,9H2.
What are the key properties of 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile?
2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(pyridin-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 2804358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).