4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide

C12H16FN3O — CID 58484991

IUPAC4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(c2cccnc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-11-10(2-1-7-15-11)8-3-5-9(6-4-8)12(17)16-14/h1-2,7-9H,3-6,14H2,(H,16,17)
InChIKeyGRYZIECFWKVGQN-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.48
Rot. Bonds2

About 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide

4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide (PubChem CID 58484991) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide
PubChem CID58484991
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(c2cccnc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-11-10(2-1-7-15-11)8-3-5-9(6-4-8)12(17)16-14/h1-2,7-9H,3-6,14H2,(H,16,17)
InChIKeyGRYZIECFWKVGQN-UHFFFAOYSA-N
XLogP1.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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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Related Compounds

3-(4-cyclopropylcyclohexyl)-2-fluoropyridine
CID 177327571
4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 142791265
2-fluoro-3-(1-oxaspiro[3.5]nonan-7-yl)pyridine
CID 59327192
3-[(2S)-aziridin-2-yl]-2-fluoropyridine
CID 55263159
4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one
CID 59327010
4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide
CID 58484940
(1S)-3-(2-fluoro-3-pyridinyl)-1-methylcyclohexan-1-ol
CID 70888991
2-cyclopropylbenzohydrazide
CID 168909064
3-(4-aminocyclohexyl)pyridin-2-amine
CID 83261789
3-[(2S)-azetidin-2-yl]-2-fluoropyridine
CID 55278495
cycloheptyl-(2-fluoro-3-pyridinyl)methanone
CID 69292771
(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one
CID 130916233

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide (CID 58484991) is 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide is NNC(=O)C1CCC(c2cccnc2F)CC1.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide?
The InChIKey is GRYZIECFWKVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-11-10(2-1-7-15-11)8-3-5-9(6-4-8)12(17)16-14/h1-2,7-9H,3-6,14H2,(H,16,17).
What are the key properties of 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide?
4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide has a molecular weight of 237.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 58484991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).