N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide

C16H11BrFN7O3 — CID 22536703

IUPACN'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C16H11BrFN7O3/c17-9-4-5-11(10(18)7-9)22-14-13(25(27)28)15(21-8-20-14)23-24-16(26)12-3-1-2-6-19-12/h1-8H,(H,24,26)(H2,20,21,22,23)
InChIKeyHPBDCVAPMGQWBH-UHFFFAOYSA-N
MW448.21 g/mol
LogP3.18
Rot. Bonds6

About N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide

N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 22536703) has the molecular formula C16H11BrFN7O3 and a molecular weight of 448.21 g/mol. Its IUPAC name is N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID22536703
Molecular FormulaC16H11BrFN7O3
Molecular Weight448.21 g/mol
Exact Mass447.01
IUPAC NameN'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESO=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C16H11BrFN7O3/c17-9-4-5-11(10(18)7-9)22-14-13(25(27)28)15(21-8-20-14)23-24-16(26)12-3-1-2-6-19-12/h1-8H,(H,24,26)(H2,20,21,22,23)
InChIKeyHPBDCVAPMGQWBH-UHFFFAOYSA-N
XLogP3.18
TPSA134.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.21
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22536188
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534144
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22536031
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536976
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N-(4-bromo-2-fluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530710
4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 23484283
N'-(6-chloro-5-nitropyrimidin-4-yl)pyridine-2-carbohydrazide
CID 23477377
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
6-N-(4-bromo-2-fluorophenyl)-4-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22531223
6-N-(4-bromo-2-fluorophenyl)-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine
CID 23487808

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide (CID 22536703) is N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is HPBDCVAPMGQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN7O3/c17-9-4-5-11(10(18)7-9)22-14-13(25(27)28)15(21-8-20-14)23-24-16(26)12-3-1-2-6-19-12/h1-8H,(H,24,26)(H2,20,21,22,23).
What are the key properties of N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 448.21 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-bromo-2-fluoroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 22536703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).