N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide

C7H7ClN4O2 — CID 166415038

IUPACN'-(2-chloroacetyl)pyrimidine-2-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1ncccn1
InChIInChI=1S/C7H7ClN4O2/c8-4-5(13)11-12-7(14)6-9-2-1-3-10-6/h1-3H,4H2,(H,11,13)(H,12,14)
InChIKeyGEEWJOSVHSMAPB-UHFFFAOYSA-N
MW214.61 g/mol
LogP-0.52
Rot. Bonds2

About N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide

N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide (PubChem CID 166415038) has the molecular formula C7H7ClN4O2 and a molecular weight of 214.61 g/mol. Its IUPAC name is N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloroacetyl)pyrimidine-2-carbohydrazide
PubChem CID166415038
Molecular FormulaC7H7ClN4O2
Molecular Weight214.61 g/mol
Exact Mass214.03
IUPAC NameN'-(2-chloroacetyl)pyrimidine-2-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1ncccn1
InChIInChI=1S/C7H7ClN4O2/c8-4-5(13)11-12-7(14)6-9-2-1-3-10-6/h1-3H,4H2,(H,11,13)(H,12,14)
InChIKeyGEEWJOSVHSMAPB-UHFFFAOYSA-N
XLogP-0.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]pyrimidine-2-carbohydrazide
CID 154865894
N'-(2-chloroacetyl)-3-hydroxybenzohydrazide
CID 166407635
N-methoxypyrimidine-2-carboxamide
CID 115635317
3-(pyrimidine-2-carbonylamino)propanoic acid
CID 115730014
N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide
CID 10444498
N'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001
N'-[3-(pyrimidin-2-ylamino)propanoyl]cyclopropanecarbohydrazide
CID 51117816
N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
CID 166414706
4-bromo-N'-(2-chloroacetyl)-1H-pyrazole-5-carbohydrazide
CID 12921227
N'-pentanoylpyridine-2-carbohydrazide
CID 29259706
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
N-(2-methylprop-2-enyl)pyrimidine-2-carboxamide
CID 114618776

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide?
The IUPAC name of N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide (CID 166415038) is N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide is O=C(CCl)NNC(=O)c1ncccn1.
What is the InChIKey of N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide?
The InChIKey is GEEWJOSVHSMAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2/c8-4-5(13)11-12-7(14)6-9-2-1-3-10-6/h1-3H,4H2,(H,11,13)(H,12,14).
What are the key properties of N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide?
N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide has a molecular weight of 214.61 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloroacetyl)pyrimidine-2-carbohydrazide is sourced from PubChem (CID 166415038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).