N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride

C11H14ClFN4O — CID 174361638

IUPACN-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride
SMILESCl.Cn1ccc2cc(F)ccc21.NC(N)=NC=O
InChIInChI=1S/C9H8FN.C2H5N3O.ClH/c1-11-5-4-7-6-8(10)2-3-9(7)11;3-2(4)5-1-6;/h2-6H,1H3;1H,(H4,3,4,5,6);1H
InChIKeyZMDSRLKMUKVKSH-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.16
Rot. Bonds1

About N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride

N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride (PubChem CID 174361638) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride
PubChem CID174361638
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC NameN-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride
SMILESCl.Cn1ccc2cc(F)ccc21.NC(N)=NC=O
InChIInChI=1S/C9H8FN.C2H5N3O.ClH/c1-11-5-4-7-6-8(10)2-3-9(7)11;3-2(4)5-1-6;/h2-6H,1H3;1H,(H4,3,4,5,6);1H
InChIKeyZMDSRLKMUKVKSH-UHFFFAOYSA-N
XLogP1.16
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride?
The IUPAC name of N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride (CID 174361638) is N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride is Cl.Cn1ccc2cc(F)ccc21.NC(N)=NC=O.
What is the InChIKey of N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride?
The InChIKey is ZMDSRLKMUKVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN.C2H5N3O.ClH/c1-11-5-4-7-6-8(10)2-3-9(7)11;3-2(4)5-1-6;/h2-6H,1H3;1H,(H4,3,4,5,6);1H.
What are the key properties of N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride?
N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride has a molecular weight of 272.71 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride is sourced from PubChem (CID 174361638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).