8-(iodoamino)naphthalene-2-carboximidamide

C11H10IN3 — CID 142064804

IUPAC8-(iodoamino)naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cccc(NI)c2c1
InChIInChI=1S/C11H10IN3/c12-15-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6,15H,(H3,13,14)
InChIKeyQJVMSJZIUNLRGB-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.89
Rot. Bonds2

About 8-(iodoamino)naphthalene-2-carboximidamide

8-(iodoamino)naphthalene-2-carboximidamide (PubChem CID 142064804) has the molecular formula C11H10IN3 and a molecular weight of 311.13 g/mol. Its IUPAC name is 8-(iodoamino)naphthalene-2-carboximidamide.

Molecular Properties

Compound Name8-(iodoamino)naphthalene-2-carboximidamide
PubChem CID142064804
Molecular FormulaC11H10IN3
Molecular Weight311.13 g/mol
Exact Mass310.99
IUPAC Name8-(iodoamino)naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cccc(NI)c2c1
InChIInChI=1S/C11H10IN3/c12-15-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6,15H,(H3,13,14)
InChIKeyQJVMSJZIUNLRGB-UHFFFAOYSA-N
XLogP2.89
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

methyl N-(7-carbamimidoylnaphthalen-1-yl)carbamate;2,2,2-trifluoroacetic acid
CID 74763851
methyl N-[(7-carbamimidoylnaphthalen-1-yl)methyl]carbamate
CID 74763858
pyrene-2-carboximidamide
CID 151524830
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
5-(2,2-dimethylpropoxy)naphthalene-2-carboximidamide
CID 159127803
3-sulfanylbenzenecarboximidamide
CID 69159686
3,4-dianilinobenzenecarboximidamide
CID 142296312
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
CID 121232084
2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
CID 155294731
3-(2-methylanilino)benzenecarboximidamide
CID 173292322

Frequently Asked Questions

What is the IUPAC name of 8-(iodoamino)naphthalene-2-carboximidamide?
The IUPAC name of 8-(iodoamino)naphthalene-2-carboximidamide (CID 142064804) is 8-(iodoamino)naphthalene-2-carboximidamide.
What is the SMILES notation for 8-(iodoamino)naphthalene-2-carboximidamide?
The canonical SMILES for 8-(iodoamino)naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2cccc(NI)c2c1.
What is the InChIKey of 8-(iodoamino)naphthalene-2-carboximidamide?
The InChIKey is QJVMSJZIUNLRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3/c12-15-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6,15H,(H3,13,14).
What are the key properties of 8-(iodoamino)naphthalene-2-carboximidamide?
8-(iodoamino)naphthalene-2-carboximidamide has a molecular weight of 311.13 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(iodoamino)naphthalene-2-carboximidamide is sourced from PubChem (CID 142064804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).