3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine

C10H8N4O2S — CID 126111430

IUPAC3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccsc1
InChIInChI=1S/C10H8N4O2S/c15-14(16)9-2-1-4-11-10(9)13-12-6-8-3-5-17-7-8/h1-7H,(H,11,13)/b12-6-
InChIKeyGHUWNTCIUJNOSN-SDQBBNPISA-N
MW248.27 g/mol
LogP2.50
Rot. Bonds4

About 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine

3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine (PubChem CID 126111430) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
PubChem CID126111430
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccsc1
InChIInChI=1S/C10H8N4O2S/c15-14(16)9-2-1-4-11-10(9)13-12-6-8-3-5-17-7-8/h1-7H,(H,11,13)/b12-6-
InChIKeyGHUWNTCIUJNOSN-SDQBBNPISA-N
XLogP2.50
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126105865
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 2740940
3-nitro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50853900
3-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 126097786
3-nitro-N-[(Z)-(3-nitro-4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 126109598
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126071392
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126103139
N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126114153

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine (CID 126111430) is 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine is O=[N+]([O-])c1cccnc1N/N=C\c1ccsc1.
What is the InChIKey of 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine?
The InChIKey is GHUWNTCIUJNOSN-SDQBBNPISA-N. The full InChI is InChI=1S/C10H8N4O2S/c15-14(16)9-2-1-4-11-10(9)13-12-6-8-3-5-17-7-8/h1-7H,(H,11,13)/b12-6-.
What are the key properties of 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine?
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine has a molecular weight of 248.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine is sourced from PubChem (CID 126111430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).