N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine

C16H10Cl2N4O3 — CID 126100606

IUPACN-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H10Cl2N4O3/c17-10-3-5-13(18)12(8-10)15-6-4-11(25-15)9-20-21-16-14(22(23)24)2-1-7-19-16/h1-9H,(H,19,21)/b20-9-
InChIKeyCUUGGRJNXOJYML-UKWGHVSLSA-N
MW377.19 g/mol
LogP5.00
Rot. Bonds5

About N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126100606) has the molecular formula C16H10Cl2N4O3 and a molecular weight of 377.19 g/mol. Its IUPAC name is N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine
PubChem CID126100606
Molecular FormulaC16H10Cl2N4O3
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC NameN-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H10Cl2N4O3/c17-10-3-5-13(18)12(8-10)15-6-4-11(25-15)9-20-21-16-14(22(23)24)2-1-7-19-16/h1-9H,(H,19,21)/b20-9-
InChIKeyCUUGGRJNXOJYML-UKWGHVSLSA-N
XLogP5.00
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.19
LogP ≤ 55.00
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)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126115052
4-methyl-3-[5-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126103601
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline
CID 3392623
3,4-dichloro-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 46495621
3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126096053
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126103139
3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126106049
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126090826
2,4,6-trichloro-N-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 50885633
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine (CID 126100606) is N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is CUUGGRJNXOJYML-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3/c17-10-3-5-13(18)12(8-10)15-6-4-11(25-15)9-20-21-16-14(22(23)24)2-1-7-19-16/h1-9H,(H,19,21)/b20-9-.
What are the key properties of N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 377.19 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126100606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).