2-amino-7-fluoro-4H-chromene-3-carbonitrile

C10H7FN2O — CID 139224270

IUPAC2-amino-7-fluoro-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(F)ccc2C1
InChIInChI=1S/C10H7FN2O/c11-8-2-1-6-3-7(5-12)10(13)14-9(6)4-8/h1-2,4H,3,13H2
InChIKeyGJSZWTWRTMEKRZ-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.45
Rot. Bonds

About 2-amino-7-fluoro-4H-chromene-3-carbonitrile

2-amino-7-fluoro-4H-chromene-3-carbonitrile (PubChem CID 139224270) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-amino-7-fluoro-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-fluoro-4H-chromene-3-carbonitrile
PubChem CID139224270
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name2-amino-7-fluoro-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(F)ccc2C1
InChIInChI=1S/C10H7FN2O/c11-8-2-1-6-3-7(5-12)10(13)14-9(6)4-8/h1-2,4H,3,13H2
InChIKeyGJSZWTWRTMEKRZ-UHFFFAOYSA-N
XLogP1.45
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-fluoro-4H-chromene-3-carbonitrile (CID 139224270) is 2-amino-7-fluoro-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-fluoro-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-fluoro-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(F)ccc2C1.
What is the InChIKey of 2-amino-7-fluoro-4H-chromene-3-carbonitrile?
The InChIKey is GJSZWTWRTMEKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-2-1-6-3-7(5-12)10(13)14-9(6)4-8/h1-2,4H,3,13H2.
What are the key properties of 2-amino-7-fluoro-4H-chromene-3-carbonitrile?
2-amino-7-fluoro-4H-chromene-3-carbonitrile has a molecular weight of 190.18 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-4H-chromene-3-carbonitrile is sourced from PubChem (CID 139224270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).