N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide

C15H15FN4O — CID 142975696

IUPACN'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide
SMILESC/N=C(/N=C(\N)c1ncccc1C)c1cc(F)ccc1O
InChIInChI=1S/C15H15FN4O/c1-9-4-3-7-19-13(9)14(17)20-15(18-2)11-8-10(16)5-6-12(11)21/h3-8,21H,1-2H3,(H2,17,18,20)
InChIKeyPVVBRZVMVAABLP-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.02
Rot. Bonds2

About N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide

N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide (PubChem CID 142975696) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide
PubChem CID142975696
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC NameN'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide
SMILESC/N=C(/N=C(\N)c1ncccc1C)c1cc(F)ccc1O
InChIInChI=1S/C15H15FN4O/c1-9-4-3-7-19-13(9)14(17)20-15(18-2)11-8-10(16)5-6-12(11)21/h3-8,21H,1-2H3,(H2,17,18,20)
InChIKeyPVVBRZVMVAABLP-UHFFFAOYSA-N
XLogP2.02
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
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

NoName_714
CID 135489221
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
4-[2-(2-Pyridinyl)ethyl]phenol
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5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
1-{[(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}pyridin-1-ium iodide
CID 135519980
2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135616214
4-(4-Amino-2-cyclopropyl-5-methylimidazol-2-yl)-2-(4-prop-1-ynyl-2-pyridinyl)phenol
CID 135985898
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651

Frequently Asked Questions

What is the IUPAC name of N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide?
The IUPAC name of N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide (CID 142975696) is N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide.
What is the SMILES notation for N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide?
The canonical SMILES for N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide is C/N=C(/N=C(\N)c1ncccc1C)c1cc(F)ccc1O.
What is the InChIKey of N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide?
The InChIKey is PVVBRZVMVAABLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-9-4-3-7-19-13(9)14(17)20-15(18-2)11-8-10(16)5-6-12(11)21/h3-8,21H,1-2H3,(H2,17,18,20).
What are the key properties of N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide?
N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide has a molecular weight of 286.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-(5-fluoro-2-hydroxyphenyl)-N-methylcarbonimidoyl]-3-methylpyridine-2-carboximidamide is sourced from PubChem (CID 142975696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).