N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide

C12H11FN4 — CID 86729652

IUPACN'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide
SMILESCc1ccncc1/C(N)=N/c1ccc(F)cn1
InChIInChI=1S/C12H11FN4/c1-8-4-5-15-7-10(8)12(14)17-11-3-2-9(13)6-16-11/h2-7H,1H3,(H2,14,16,17)
InChIKeyGXYYGJYCJKMMPJ-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.96
Rot. Bonds2

About N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide

N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide (PubChem CID 86729652) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide
PubChem CID86729652
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC NameN'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide
SMILESCc1ccncc1/C(N)=N/c1ccc(F)cn1
InChIInChI=1S/C12H11FN4/c1-8-4-5-15-7-10(8)12(14)17-11-3-2-9(13)6-16-11/h2-7H,1H3,(H2,14,16,17)
InChIKeyGXYYGJYCJKMMPJ-UHFFFAOYSA-N
XLogP1.96
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-propylpyridine-3-carboximidamide
CID 114878884
2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116603939
4-methylpyridine-3-carbonyl chloride
CID 22386188
4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53229231
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265
methyl 4-methylpyridine-3-carboxylate
CID 10877301
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310
N'-[5-(4-methylphenyl)-2-pyridinyl]benzenecarboximidamide
CID 155669015
2-(aminomethyl)-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116574061
(Z)-2-[amino(propan-2-yl)amino]-1-(4-methyl-3-pyridinyl)ethenamine
CID 168910641
N-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937
2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 103446599

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide?
The IUPAC name of N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide (CID 86729652) is N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide is Cc1ccncc1/C(N)=N/c1ccc(F)cn1.
What is the InChIKey of N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide?
The InChIKey is GXYYGJYCJKMMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-8-4-5-15-7-10(8)12(14)17-11-3-2-9(13)6-16-11/h2-7H,1H3,(H2,14,16,17).
What are the key properties of N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide?
N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide has a molecular weight of 230.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-pyridinyl)-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 86729652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).