3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide

C14H13F2N5O — CID 155139637

IUPAC3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1ncc(C(F)F)cc1-c1cnc(C2CC2)nc1
InChIInChI=1S/C14H13F2N5O/c15-12(16)8-3-10(11(18-4-8)14(22)21-17)9-5-19-13(20-6-9)7-1-2-7/h3-7,12H,1-2,17H2,(H,21,22)
InChIKeyRMCZXYYZUMLSLH-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.96
Rot. Bonds4

About 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide

3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide (PubChem CID 155139637) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide
PubChem CID155139637
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide
SMILESNNC(=O)c1ncc(C(F)F)cc1-c1cnc(C2CC2)nc1
InChIInChI=1S/C14H13F2N5O/c15-12(16)8-3-10(11(18-4-8)14(22)21-17)9-5-19-13(20-6-9)7-1-2-7/h3-7,12H,1-2,17H2,(H,21,22)
InChIKeyRMCZXYYZUMLSLH-UHFFFAOYSA-N
XLogP1.96
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide?
The IUPAC name of 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide (CID 155139637) is 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide?
The canonical SMILES for 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide is NNC(=O)c1ncc(C(F)F)cc1-c1cnc(C2CC2)nc1.
What is the InChIKey of 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide?
The InChIKey is RMCZXYYZUMLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O/c15-12(16)8-3-10(11(18-4-8)14(22)21-17)9-5-19-13(20-6-9)7-1-2-7/h3-7,12H,1-2,17H2,(H,21,22).
What are the key properties of 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide?
3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide has a molecular weight of 305.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpyrimidin-5-yl)-5-(difluoromethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 155139637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).