N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide

C11H9ClFIN6O — CID 151069045

IUPACN-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide
SMILESNc1nc(Cl)c(I)c(N(N)C(=O)Cc2ncccc2F)n1
InChIInChI=1S/C11H9ClFIN6O/c12-9-8(14)10(19-11(15)18-9)20(16)7(21)4-6-5(13)2-1-3-17-6/h1-3H,4,16H2,(H2,15,18,19)
InChIKeyMHSXAIVPBOKBGM-UHFFFAOYSA-N
MW422.59 g/mol
LogP1.30
Rot. Bonds3

About N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide

N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide (PubChem CID 151069045) has the molecular formula C11H9ClFIN6O and a molecular weight of 422.59 g/mol. Its IUPAC name is N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide.

Molecular Properties

Compound NameN-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide
PubChem CID151069045
Molecular FormulaC11H9ClFIN6O
Molecular Weight422.59 g/mol
Exact Mass421.96
IUPAC NameN-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide
SMILESNc1nc(Cl)c(I)c(N(N)C(=O)Cc2ncccc2F)n1
InChIInChI=1S/C11H9ClFIN6O/c12-9-8(14)10(19-11(15)18-9)20(16)7(21)4-6-5(13)2-1-3-17-6/h1-3H,4,16H2,(H2,15,18,19)
InChIKeyMHSXAIVPBOKBGM-UHFFFAOYSA-N
XLogP1.30
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide 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

1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
diethyl 2-(3-fluoro-2-pyridinyl)propanedioate;ethyl 2-(3-fluoro-2-pyridinyl)acetate
CID 159674340
2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052370
2-amino-3-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid
CID 130039671
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 75431488
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685
2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone
CID 25193579
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
N-(3-fluoro-2-pyridinyl)-N-methyl-2-(2,4,6-trimethylphenyl)acetamide
CID 122159400

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide?
The IUPAC name of N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide (CID 151069045) is N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide.
What is the SMILES notation for N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide?
The canonical SMILES for N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide is Nc1nc(Cl)c(I)c(N(N)C(=O)Cc2ncccc2F)n1.
What is the InChIKey of N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide?
The InChIKey is MHSXAIVPBOKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFIN6O/c12-9-8(14)10(19-11(15)18-9)20(16)7(21)4-6-5(13)2-1-3-17-6/h1-3H,4,16H2,(H2,15,18,19).
What are the key properties of N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide?
N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide has a molecular weight of 422.59 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chloro-5-iodopyrimidin-4-yl)-2-(3-fluoro-2-pyridinyl)acetohydrazide is sourced from PubChem (CID 151069045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).