2-amino-4-chloro-5-nitrobenzenecarboximidamide

C7H7ClN4O2 — CID 150654153

IUPAC2-amino-4-chloro-5-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])c(Cl)cc1N
InChIInChI=1S/C7H7ClN4O2/c8-4-2-5(9)3(7(10)11)1-6(4)12(13)14/h1-2H,9H2,(H3,10,11)
InChIKeyJCMULDQEUUEHBZ-UHFFFAOYSA-N
MW214.61 g/mol
LogP1.11
Rot. Bonds2

About 2-amino-4-chloro-5-nitrobenzenecarboximidamide

2-amino-4-chloro-5-nitrobenzenecarboximidamide (PubChem CID 150654153) has the molecular formula C7H7ClN4O2 and a molecular weight of 214.61 g/mol. Its IUPAC name is 2-amino-4-chloro-5-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-4-chloro-5-nitrobenzenecarboximidamide
PubChem CID150654153
Molecular FormulaC7H7ClN4O2
Molecular Weight214.61 g/mol
Exact Mass214.03
IUPAC Name2-amino-4-chloro-5-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])c(Cl)cc1N
InChIInChI=1S/C7H7ClN4O2/c8-4-2-5(9)3(7(10)11)1-6(4)12(13)14/h1-2H,9H2,(H3,10,11)
InChIKeyJCMULDQEUUEHBZ-UHFFFAOYSA-N
XLogP1.11
TPSA119.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-5-nitrobenzenecarboximidamide?
The IUPAC name of 2-amino-4-chloro-5-nitrobenzenecarboximidamide (CID 150654153) is 2-amino-4-chloro-5-nitrobenzenecarboximidamide.
What is the SMILES notation for 2-amino-4-chloro-5-nitrobenzenecarboximidamide?
The canonical SMILES for 2-amino-4-chloro-5-nitrobenzenecarboximidamide is [H]/N=C(\N)c1cc([N+](=O)[O-])c(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-5-nitrobenzenecarboximidamide?
The InChIKey is JCMULDQEUUEHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2/c8-4-2-5(9)3(7(10)11)1-6(4)12(13)14/h1-2H,9H2,(H3,10,11).
What are the key properties of 2-amino-4-chloro-5-nitrobenzenecarboximidamide?
2-amino-4-chloro-5-nitrobenzenecarboximidamide has a molecular weight of 214.61 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-nitrobenzenecarboximidamide is sourced from PubChem (CID 150654153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).