N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide

C14H10F3N5O — CID 10567756

IUPACN'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)c(C#N)c(NNC(=O)c2ccncc2)n1
InChIInChI=1S/C14H10F3N5O/c1-8-6-11(14(15,16)17)10(7-18)12(20-8)21-22-13(23)9-2-4-19-5-3-9/h2-6H,1H3,(H,20,21)(H,22,23)
InChIKeyARDGOFPZFQDNSO-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.43
Rot. Bonds3

About N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide

N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide (PubChem CID 10567756) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide
PubChem CID10567756
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC NameN'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide
SMILESCc1cc(C(F)(F)F)c(C#N)c(NNC(=O)c2ccncc2)n1
InChIInChI=1S/C14H10F3N5O/c1-8-6-11(14(15,16)17)10(7-18)12(20-8)21-22-13(23)9-2-4-19-5-3-9/h2-6H,1H3,(H,20,21)(H,22,23)
InChIKeyARDGOFPZFQDNSO-UHFFFAOYSA-N
XLogP2.43
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide (CID 10567756) is N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide is Cc1cc(C(F)(F)F)c(C#N)c(NNC(=O)c2ccncc2)n1.
What is the InChIKey of N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide?
The InChIKey is ARDGOFPZFQDNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c1-8-6-11(14(15,16)17)10(7-18)12(20-8)21-22-13(23)9-2-4-19-5-3-9/h2-6H,1H3,(H,20,21)(H,22,23).
What are the key properties of N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide?
N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide has a molecular weight of 321.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 10567756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).