3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile

C12H8FN3 — CID 175711323

IUPAC3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2ncccc2N)c1F
InChIInChI=1S/C12H8FN3/c13-11-8(7-14)3-1-4-9(11)12-10(15)5-2-6-16-12/h1-6H,15H2
InChIKeyLZGWWLNEZPOULW-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.34
Rot. Bonds1

About 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile

3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile (PubChem CID 175711323) has the molecular formula C12H8FN3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile
PubChem CID175711323
Molecular FormulaC12H8FN3
Molecular Weight213.22 g/mol
Exact Mass213.07
IUPAC Name3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(-c2ncccc2N)c1F
InChIInChI=1S/C12H8FN3/c13-11-8(7-14)3-1-4-9(11)12-10(15)5-2-6-16-12/h1-6H,15H2
InChIKeyLZGWWLNEZPOULW-UHFFFAOYSA-N
XLogP2.34
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile?
The IUPAC name of 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile (CID 175711323) is 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile?
The canonical SMILES for 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile is N#Cc1cccc(-c2ncccc2N)c1F.
What is the InChIKey of 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile?
The InChIKey is LZGWWLNEZPOULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3/c13-11-8(7-14)3-1-4-9(11)12-10(15)5-2-6-16-12/h1-6H,15H2.
What are the key properties of 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile?
3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile has a molecular weight of 213.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-pyridinyl)-2-fluorobenzonitrile is sourced from PubChem (CID 175711323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).