CID 102262237

C7H9N2 — CID 102262237

IUPAC—
SMILES[CH2]c1cc(N)ccc1N
InChIInChI=1S/C7H9N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1,8-9H2
InChIKeyABWNOTDGPDDZLN-UHFFFAOYSA-N
MW121.16 g/mol
LogP1.03
Rot. Bonds

About CID 102262237

CID 102262237 (PubChem CID 102262237) has the molecular formula C7H9N2 and a molecular weight of 121.16 g/mol.

Molecular Properties

Compound NameCID 102262237
PubChem CID102262237
Molecular FormulaC7H9N2
Molecular Weight121.16 g/mol
Exact Mass121.08
IUPAC Name—
SMILES[CH2]c1cc(N)ccc1N
InChIInChI=1S/C7H9N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1,8-9H2
InChIKeyABWNOTDGPDDZLN-UHFFFAOYSA-N
XLogP1.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
benzene-1,3-diamine;benzene-1,4-diamine;benzene-1,2,4-triamine
CID 162067267
phenazine-2,3,7-triamine
CID 13244876
4-(2,5-diaminophenyl)benzene-1,3-diamine
CID 22061935
CID 57424296
CID 57424296
naphthalene-1,2,7-triamine
CID 19078044
4-(4-aminophenyl)sulfanylbenzene-1,2-diamine
CID 10130826
2-(2-chlorophenyl)benzene-1,4-diamine
CID 18371389
4-methylbenzene-1,3-diamine
CID 159171817
ethane;2-hydrazinylbenzene-1,4-diamine
CID 142054755
5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387

Frequently Asked Questions

What is the IUPAC name of CID 102262237?
The IUPAC name of CID 102262237 (CID 102262237) is not available.
What is the SMILES notation for CID 102262237?
The canonical SMILES for CID 102262237 is [CH2]c1cc(N)ccc1N.
What is the InChIKey of CID 102262237?
The InChIKey is ABWNOTDGPDDZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1,8-9H2.
What are the key properties of CID 102262237?
CID 102262237 has a molecular weight of 121.16 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102262237 is sourced from PubChem (CID 102262237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).