N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide

C10H7ClN6O3 — CID 23477377

IUPACN'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncnc(Cl)c1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C10H7ClN6O3/c11-8-7(17(19)20)9(14-5-13-8)15-16-10(18)6-3-1-2-4-12-6/h1-5H,(H,16,18)(H,13,14,15)
InChIKeyFCLNPWYYGTUIGP-UHFFFAOYSA-N
MW294.66 g/mol
LogP1.19
Rot. Bonds4

About N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide

N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide (PubChem CID 23477377) has the molecular formula C10H7ClN6O3 and a molecular weight of 294.66 g/mol. Its IUPAC name is N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
PubChem CID23477377
Molecular FormulaC10H7ClN6O3
Molecular Weight294.66 g/mol
Exact Mass294.03
IUPAC NameN'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
SMILESO=C(NNc1ncnc(Cl)c1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C10H7ClN6O3/c11-8-7(17(19)20)9(14-5-13-8)15-16-10(18)6-3-1-2-4-12-6/h1-5H,(H,16,18)(H,13,14,15)
InChIKeyFCLNPWYYGTUIGP-UHFFFAOYSA-N
XLogP1.19
TPSA122.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23487392
N'-[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534911
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534144
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23488775
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714
N'-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23490358
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536703
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535060
N'-[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23495159
methyl 2-[methyl-[5-nitro-6-[2-(pyridine-2-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 22536731
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide (CID 23477377) is N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide is O=C(NNc1ncnc(Cl)c1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide?
The InChIKey is FCLNPWYYGTUIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O3/c11-8-7(17(19)20)9(14-5-13-8)15-16-10(18)6-3-1-2-4-12-6/h1-5H,(H,16,18)(H,13,14,15).
What are the key properties of N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide?
N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide has a molecular weight of 294.66 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 23477377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).