4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide

C14H10Cl3N5O3 — CID 9214514

IUPAC4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl3N5O3/c1-6(7-4-2-3-5-8(7)22(24)25)20-21-14(23)12-9(15)11(18)10(16)13(17)19-12/h2-5H,1H3,(H2,18,19)(H,21,23)/b20-6-
InChIKeyKIHWPFAUAIJTPA-IOXNKQMXSA-N
MW402.63 g/mol
LogP3.69
Rot. Bonds4

About 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide

4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 9214514) has the molecular formula C14H10Cl3N5O3 and a molecular weight of 402.63 g/mol. Its IUPAC name is 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID9214514
Molecular FormulaC14H10Cl3N5O3
Molecular Weight402.63 g/mol
Exact Mass400.98
IUPAC Name4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl3N5O3/c1-6(7-4-2-3-5-8(7)22(24)25)20-21-14(23)12-9(15)11(18)10(16)13(17)19-12/h2-5H,1H3,(H2,18,19)(H,21,23)/b20-6-
InChIKeyKIHWPFAUAIJTPA-IOXNKQMXSA-N
XLogP3.69
TPSA123.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

4-amino-3,5,6-trichloro-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 9214603
4-amino-N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3,5,6-trichloropyridine-2-carboxamide
CID 9214641
4-bromo-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982965
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
4-ethoxy-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]benzamide
CID 9214784
4-amino-3,5,6-trichloro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5098964
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-3-nitrobenzamide
CID 3139256
N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide
CID 170922650

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide (CID 9214514) is 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide is C/C(=N/NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is KIHWPFAUAIJTPA-IOXNKQMXSA-N. The full InChI is InChI=1S/C14H10Cl3N5O3/c1-6(7-4-2-3-5-8(7)22(24)25)20-21-14(23)12-9(15)11(18)10(16)13(17)19-12/h2-5H,1H3,(H2,18,19)(H,21,23)/b20-6-.
What are the key properties of 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide?
4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 402.63 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5,6-trichloro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9214514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).