N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide

C12H11FN4 — CID 104639579

IUPACN-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C12H11FN4/c13-9-6-7-11(15-8-9)12(17-14)16-10-4-2-1-3-5-10/h1-8H,14H2,(H,16,17)
InChIKeyOLLZRRBKSANRJC-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.76
Rot. Bonds2

About N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide

N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide (PubChem CID 104639579) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide
PubChem CID104639579
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC NameN-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C12H11FN4/c13-9-6-7-11(15-8-9)12(17-14)16-10-4-2-1-3-5-10/h1-8H,14H2,(H,16,17)
InChIKeyOLLZRRBKSANRJC-UHFFFAOYSA-N
XLogP1.76
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide
CID 61361144
N-amino-2,4,6-trifluoro-N'-phenylbenzenecarboximidamide
CID 65100296
N-amino-3-bromo-2-fluoro-N'-phenylbenzenecarboximidamide
CID 107957920
N-amino-2-methylsulfanyl-N'-phenylbenzenecarboximidamide
CID 79206306
N-amino-1,5-dimethyl-N'-phenylpyrazole-4-carboximidamide
CID 61363136
N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide
CID 61361963
N-amino-4-oxo-N'-phenyl-1H-pyridine-3-carboximidamide
CID 136966618
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
N-amino-5-bromo-N'-methylpyridine-2-carboximidamide
CID 62960458
(5-fluoro-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330183
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
CID 104643141
N-amino-3-methoxy-N'-phenylbenzenecarboximidamide
CID 61363522

Frequently Asked Questions

What is the IUPAC name of N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide?
The IUPAC name of N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide (CID 104639579) is N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide.
What is the SMILES notation for N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide?
The canonical SMILES for N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide is NN/C(=N\c1ccccc1)c1ccc(F)cn1.
What is the InChIKey of N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide?
The InChIKey is OLLZRRBKSANRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c13-9-6-7-11(15-8-9)12(17-14)16-10-4-2-1-3-5-10/h1-8H,14H2,(H,16,17).
What are the key properties of N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide?
N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide has a molecular weight of 230.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-5-fluoro-N'-phenylpyridine-2-carboximidamide is sourced from PubChem (CID 104639579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).