5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine

C10H9N5O2 — CID 135810238

IUPAC5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc[nH]2)nc1
InChIInChI=1S/C10H9N5O2/c16-15(17)9-3-4-10(12-7-9)14-13-6-8-2-1-5-11-8/h1-7,11H,(H,12,14)/b13-6+
InChIKeyYYEBGXSJRBOROK-AWNIVKPZSA-N
MW231.22 g/mol
LogP1.76
Rot. Bonds4

About 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine

5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine (PubChem CID 135810238) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
PubChem CID135810238
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc[nH]2)nc1
InChIInChI=1S/C10H9N5O2/c16-15(17)9-3-4-10(12-7-9)14-13-6-8-2-1-5-11-8/h1-7,11H,(H,12,14)/b13-6+
InChIKeyYYEBGXSJRBOROK-AWNIVKPZSA-N
XLogP1.76
TPSA96.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine
CID 135549675
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 136809709
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline
CID 135620066
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
N-[(E)-(2,5-dimethylfuran-3-yl)methylideneamino]-5-nitropyridin-2-amine
CID 21374211
5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50854673
N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine
CID 5355685
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
1-(4-nitrophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)thiourea
CID 137244886

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine (CID 135810238) is 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine is O=[N+]([O-])c1ccc(N/N=C/c2ccc[nH]2)nc1.
What is the InChIKey of 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine?
The InChIKey is YYEBGXSJRBOROK-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H9N5O2/c16-15(17)9-3-4-10(12-7-9)14-13-6-8-2-1-5-11-8/h1-7,11H,(H,12,14)/b13-6+.
What are the key properties of 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine?
5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine has a molecular weight of 231.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine is sourced from PubChem (CID 135810238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).