N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine

C12H9FN4O2 — CID 126106016

IUPACN-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O2/c13-10-5-3-9(4-6-10)8-15-16-12-11(17(18)19)2-1-7-14-12/h1-8H,(H,14,16)/b15-8-
InChIKeySRDIMQNWWJKSCA-NVNXTCNLSA-N
MW260.23 g/mol
LogP2.57
Rot. Bonds4

About N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126106016) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID126106016
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC NameN-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O2/c13-10-5-3-9(4-6-10)8-15-16-12-11(17(18)19)2-1-7-14-12/h1-8H,(H,14,16)/b15-8-
InChIKeySRDIMQNWWJKSCA-NVNXTCNLSA-N
XLogP2.57
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
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-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126095785
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate
CID 7329507
3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 2740940
3-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 126097786
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
3-nitro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50853900
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-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126105865
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126103139

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine (CID 126106016) is N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1N/N=C\c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is SRDIMQNWWJKSCA-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H9FN4O2/c13-10-5-3-9(4-6-10)8-15-16-12-11(17(18)19)2-1-7-14-12/h1-8H,(H,14,16)/b15-8-.
What are the key properties of N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 260.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126106016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).