N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine

C18H13ClN4O2 — CID 6174563

IUPACN-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H13ClN4O2/c19-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)22-21-17-11-10-16(12-20-17)23(24)25/h1-12H,(H,20,21)/b22-18-
InChIKeyWLSJBRREDWTPSV-PYCFMQQDSA-N
MW352.78 g/mol
LogP4.51
Rot. Bonds5

About N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine

N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine (PubChem CID 6174563) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine
PubChem CID6174563
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC NameN-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H13ClN4O2/c19-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)22-21-17-11-10-16(12-20-17)23(24)25/h1-12H,(H,20,21)/b22-18-
InChIKeyWLSJBRREDWTPSV-PYCFMQQDSA-N
XLogP4.51
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.51
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

5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6035374
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
[[(4-nitrophenyl)-phenylmethylidene]amino]thiourea
CID 3633484
4-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2842438
N-benzoyl-5-nitropyridine-2-carboxamide
CID 21405378
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
CID 4764041
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine (CID 6174563) is N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine?
The InChIKey is WLSJBRREDWTPSV-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-15-8-6-14(7-9-15)18(13-4-2-1-3-5-13)22-21-17-11-10-16(12-20-17)23(24)25/h1-12H,(H,20,21)/b22-18-.
What are the key properties of N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine?
N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine has a molecular weight of 352.78 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine is sourced from PubChem (CID 6174563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).