N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide

C14H13ClN4O3 — CID 1474110

IUPACN'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide
SMILESO=C(NNc1cccc(Cl)n1)c1ccccc1CC[N+](=O)[O-]
InChIInChI=1S/C14H13ClN4O3/c15-12-6-3-7-13(16-12)17-18-14(20)11-5-2-1-4-10(11)8-9-19(21)22/h1-7H,8-9H2,(H,16,17)(H,18,20)
InChIKeyLTXWDWPZWRRTLB-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.31
Rot. Bonds6

About N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide

N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide (PubChem CID 1474110) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide
PubChem CID1474110
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC NameN'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide
SMILESO=C(NNc1cccc(Cl)n1)c1ccccc1CC[N+](=O)[O-]
InChIInChI=1S/C14H13ClN4O3/c15-12-6-3-7-13(16-12)17-18-14(20)11-5-2-1-4-10(11)8-9-19(21)22/h1-7H,8-9H2,(H,16,17)(H,18,20)
InChIKeyLTXWDWPZWRRTLB-UHFFFAOYSA-N
XLogP2.31
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide
CID 1484336
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
1-[(6-chloro-2-pyridinyl)amino]-3-methylurea
CID 901019
6-chloro-N-fluoropyridin-2-amine
CID 171556919
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
CID 138042469
N-(6-chloro-2-pyridinyl)-5-nitrofuran-2-carboxamide
CID 115683192
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyridin-2-amine
CID 106194233
3-[(6-chloro-2-pyridinyl)amino]-3-oxo-2-phenylpropanoic acid
CID 175130491
6-chloro-N-(2-ethylphenyl)pyridin-2-amine
CID 63588591
1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
CID 4193262

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide?
The IUPAC name of N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide (CID 1474110) is N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide.
What is the SMILES notation for N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide?
The canonical SMILES for N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide is O=C(NNc1cccc(Cl)n1)c1ccccc1CC[N+](=O)[O-].
What is the InChIKey of N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide?
The InChIKey is LTXWDWPZWRRTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c15-12-6-3-7-13(16-12)17-18-14(20)11-5-2-1-4-10(11)8-9-19(21)22/h1-7H,8-9H2,(H,16,17)(H,18,20).
What are the key properties of N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide?
N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide has a molecular weight of 320.74 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2-pyridinyl)-2-(2-nitroethyl)benzohydrazide is sourced from PubChem (CID 1474110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).