N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine

C16H12FN5O2 — CID 126110373

IUPACN-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1cccn1-c1ccccc1F
InChIInChI=1S/C16H12FN5O2/c17-13-6-1-2-7-14(13)21-10-4-5-12(21)11-19-20-16-15(22(23)24)8-3-9-18-16/h1-11H,(H,18,20)/b19-11-
InChIKeyIGQBHNZYWSPCQS-ODLFYWEKSA-N
MW325.30 g/mol
LogP3.37
Rot. Bonds5

About N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126110373) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
PubChem CID126110373
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC NameN-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1cccn1-c1ccccc1F
InChIInChI=1S/C16H12FN5O2/c17-13-6-1-2-7-14(13)21-10-4-5-12(21)11-19-20-16-15(22(23)24)8-3-9-18-16/h1-11H,(H,18,20)/b19-11-
InChIKeyIGQBHNZYWSPCQS-ODLFYWEKSA-N
XLogP3.37
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'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)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
N-[(Z)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126072265
3-[2-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126081987
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine
CID 74831606
3-nitro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50853900
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126080640
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126105865

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine (CID 126110373) is N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1N/N=C\c1cccn1-c1ccccc1F.
What is the InChIKey of N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is IGQBHNZYWSPCQS-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H12FN5O2/c17-13-6-1-2-7-14(13)21-10-4-5-12(21)11-19-20-16-15(22(23)24)8-3-9-18-16/h1-11H,(H,18,20)/b19-11-.
What are the key properties of N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 325.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(2-fluorophenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126110373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).