2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide

C13H12FN3O — CID 143262003

IUPAC2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(O)c(F)c2)cc1N
InChIInChI=1S/C13H12FN3O/c14-10-5-7(2-4-12(10)18)8-1-3-9(13(16)17)11(15)6-8/h1-6,18H,15H2,(H3,16,17)
InChIKeyUQYJVTTYANDMSN-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.06
Rot. Bonds2

About 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide

2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide (PubChem CID 143262003) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
PubChem CID143262003
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(O)c(F)c2)cc1N
InChIInChI=1S/C13H12FN3O/c14-10-5-7(2-4-12(10)18)8-1-3-9(13(16)17)11(15)6-8/h1-6,18H,15H2,(H3,16,17)
InChIKeyUQYJVTTYANDMSN-UHFFFAOYSA-N
XLogP2.06
TPSA96.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluorobenzenecarboximidamide
CID 140514748
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956
2-amino-4-(5-fluoro-2-methoxyphenyl)benzenecarboximidamide
CID 143262005
2-amino-4-(4-methoxy-3-sulfanylphenyl)benzenecarboximidamide
CID 143262019
4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide
CID 171526804
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 163360794
5-amino-2,3,4-trifluorobenzenecarboximidamide
CID 83382918
2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
ethyl 3-fluoro-4-hydroxybenzenecarboximidate
CID 136810245
2-fluoro-4-[5-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]phenol
CID 71624461

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide?
The IUPAC name of 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide (CID 143262003) is 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide?
The canonical SMILES for 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(O)c(F)c2)cc1N.
What is the InChIKey of 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide?
The InChIKey is UQYJVTTYANDMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-10-5-7(2-4-12(10)18)8-1-3-9(13(16)17)11(15)6-8/h1-6,18H,15H2,(H3,16,17).
What are the key properties of 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide?
2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide has a molecular weight of 245.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 143262003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).