4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile

C10H9IN2O — CID 130044531

IUPAC4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile
SMILESN#Cc1ccc(I)c2c1C(N)CCO2
InChIInChI=1S/C10H9IN2O/c11-7-2-1-6(5-12)9-8(13)3-4-14-10(7)9/h1-2,8H,3-4,13H2
InChIKeyPJYCXPRPAGYXEV-UHFFFAOYSA-N
MW300.10 g/mol
LogP1.95
Rot. Bonds

About 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile

4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile (PubChem CID 130044531) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile.

Molecular Properties

Compound Name4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile
PubChem CID130044531
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile
SMILESN#Cc1ccc(I)c2c1C(N)CCO2
InChIInChI=1S/C10H9IN2O/c11-7-2-1-6(5-12)9-8(13)3-4-14-10(7)9/h1-2,8H,3-4,13H2
InChIKeyPJYCXPRPAGYXEV-UHFFFAOYSA-N
XLogP1.95
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile
CID 55273180
(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile
CID 130665310
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130631682
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130609322
(3R)-3-amino-4-chloro-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 131101529
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
CID 130044464
(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride
CID 171252405

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile?
The IUPAC name of 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile (CID 130044531) is 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile.
What is the SMILES notation for 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile?
The canonical SMILES for 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile is N#Cc1ccc(I)c2c1C(N)CCO2.
What is the InChIKey of 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile?
The InChIKey is PJYCXPRPAGYXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c11-7-2-1-6(5-12)9-8(13)3-4-14-10(7)9/h1-2,8H,3-4,13H2.
What are the key properties of 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile?
4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile has a molecular weight of 300.10 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile is sourced from PubChem (CID 130044531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).