4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile

C11H11FIN3O — CID 79675043

IUPAC4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2cc(F)c(I)cc2N)CCO1
InChIInChI=1S/C11H11FIN3O/c12-8-3-11(10(15)4-9(8)13)16-1-2-17-7(5-14)6-16/h3-4,7H,1-2,6,15H2
InChIKeyNZTNRJZOYUZMGL-UHFFFAOYSA-N
MW347.13 g/mol
LogP1.74
Rot. Bonds1

About 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile

4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile (PubChem CID 79675043) has the molecular formula C11H11FIN3O and a molecular weight of 347.13 g/mol. Its IUPAC name is 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile
PubChem CID79675043
Molecular FormulaC11H11FIN3O
Molecular Weight347.13 g/mol
Exact Mass346.99
IUPAC Name4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2cc(F)c(I)cc2N)CCO1
InChIInChI=1S/C11H11FIN3O/c12-8-3-11(10(15)4-9(8)13)16-1-2-17-7(5-14)6-16/h3-4,7H,1-2,6,15H2
InChIKeyNZTNRJZOYUZMGL-UHFFFAOYSA-N
XLogP1.74
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Morpholinoaniline
CID 735756
5-Fluoro-2-(morpholin-4-yl)aniline
CID 6485404
2,5-Difluoro-4-(morpholin-4-yl)aniline
CID 58072336
2-(Morpholin-4-yl)aniline dihydrochloride
CID 75481890
4-(2-Fluoro-4-iodophenyl)morpholine
CID 71551841
2-fluoro-N-(2-(morpholin-4-yl)ethyl)aniline
CID 28581820
4-Fluoro-2-(morpholin-4-yl)aniline hydrochloride
CID 66524474
4-Fluoro-5-morpholin-4-ylbenzene-1,2-diamine
CID 1510300
4-fluoro-1-N-(2-morpholin-4-ylethyl)benzene-1,2-diamine
CID 17609645
N-(5-fluoro-2-morpholinophenyl)cyanamide
CID 18952118
3-Fluoro-2-morpholinoaniline
CID 22245088
[4-(4-Fluorophenyl)morpholin-2-yl]methanamine
CID 24262408

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile (CID 79675043) is 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile is N#CC1CN(c2cc(F)c(I)cc2N)CCO1.
What is the InChIKey of 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile?
The InChIKey is NZTNRJZOYUZMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FIN3O/c12-8-3-11(10(15)4-9(8)13)16-1-2-17-7(5-14)6-16/h3-4,7H,1-2,6,15H2.
What are the key properties of 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile?
4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile has a molecular weight of 347.13 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-fluoro-4-iodophenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79675043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).