5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide

C9H7ClN4O2 — CID 46570927

IUPAC5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide
SMILESO=C(NNc1ncccn1)c1ccc(Cl)o1
InChIInChI=1S/C9H7ClN4O2/c10-7-3-2-6(16-7)8(15)13-14-9-11-4-1-5-12-9/h1-5H,(H,13,15)(H,11,12,14)
InChIKeyYMUBYDZFHXTHSX-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.48
Rot. Bonds3

About 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide

5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide (PubChem CID 46570927) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide
PubChem CID46570927
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide
SMILESO=C(NNc1ncccn1)c1ccc(Cl)o1
InChIInChI=1S/C9H7ClN4O2/c10-7-3-2-6(16-7)8(15)13-14-9-11-4-1-5-12-9/h1-5H,(H,13,15)(H,11,12,14)
InChIKeyYMUBYDZFHXTHSX-UHFFFAOYSA-N
XLogP1.48
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N'-pyrimidin-2-ylfuran-2-carbohydrazide
CID 87015415
(5-chlorofuran-2-yl)-quinolin-8-ylmethanone
CID 106691206
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 30137081
4-[(5-chlorofuran-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55244586
5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
CID 115608607
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
5-methyl-N'-pyrimidin-2-yl-1,2-oxazole-3-carbohydrazide
CID 47414337
N'-[5-(2-chlorophenyl)furan-2-carbonyl]pyridine-2-carbohydrazide
CID 8866672
3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
CID 78862068
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)furan-2-carboxamide
CID 104693605
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide (CID 46570927) is 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide is O=C(NNc1ncccn1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide?
The InChIKey is YMUBYDZFHXTHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-7-3-2-6(16-7)8(15)13-14-9-11-4-1-5-12-9/h1-5H,(H,13,15)(H,11,12,14).
What are the key properties of 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide?
5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide has a molecular weight of 238.63 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-pyrimidin-2-ylfuran-2-carbohydrazide is sourced from PubChem (CID 46570927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).