CID 162567858

C10H7AlF3N3O2 — CID 162567858

IUPAC—
SMILESNC(=C/C([Al])=N/c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C10H7F3N3O2.Al/c11-10(12,13)9(14)5-6-15-7-1-3-8(4-2-7)16(17)18;/h1-5H,14H2;
InChIKeyJOSCXNDOXUUXBD-UHFFFAOYSA-N
MW285.16 g/mol
LogP2.20
Rot. Bonds3

About CID 162567858

CID 162567858 (PubChem CID 162567858) has the molecular formula C10H7AlF3N3O2 and a molecular weight of 285.16 g/mol.

Molecular Properties

Compound NameCID 162567858
PubChem CID162567858
Molecular FormulaC10H7AlF3N3O2
Molecular Weight285.16 g/mol
Exact Mass285.03
IUPAC Name—
SMILESNC(=C/C([Al])=N/c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C10H7F3N3O2.Al/c11-10(12,13)9(14)5-6-15-7-1-3-8(4-2-7)16(17)18;/h1-5H,14H2;
InChIKeyJOSCXNDOXUUXBD-UHFFFAOYSA-N
XLogP2.20
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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methyl N'-(4-nitrophenyl)carbamimidothioate;hydroiodide
CID 22100069
1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine
CID 69016333
(3E,5E)-1,1,1-trifluoro-N-(4-methylphenyl)-6-(4-nitrophenyl)hexa-3,5-dien-2-imine
CID 10808452
N,N,2,2-tetramethyl-N'-(4-nitrophenyl)propanimidamide
CID 525893
4-(diaminomethylideneamino)benzoic acid;(4-nitrophenyl)-phenylmethanone
CID 175322843
1-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-4-nitrobenzene
CID 11299727
1-nitro-4-nitrosobenzene
CID 643547
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
CID 135981310
ethyl (Z)-4,4,4-trifluoro-3-hydroxy-2-[(4-nitrophenyl)diazenyl]but-2-enoate
CID 135526846
1,4-dinitrobenzene;nitrous acid
CID 174371180
N-(4-tert-butylphenyl)-1,1-bis(4-nitrophenyl)methanimine
CID 166063764

Frequently Asked Questions

What is the IUPAC name of CID 162567858?
The IUPAC name of CID 162567858 (CID 162567858) is not available.
What is the SMILES notation for CID 162567858?
The canonical SMILES for CID 162567858 is NC(=C/C([Al])=N/c1ccc([N+](=O)[O-])cc1)C(F)(F)F.
What is the InChIKey of CID 162567858?
The InChIKey is JOSCXNDOXUUXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N3O2.Al/c11-10(12,13)9(14)5-6-15-7-1-3-8(4-2-7)16(17)18;/h1-5H,14H2;.
What are the key properties of CID 162567858?
CID 162567858 has a molecular weight of 285.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162567858 is sourced from PubChem (CID 162567858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).