2-amino-3-chloro-6-fluorobenzenecarboximidamide

C7H7ClFN3 — CID 57139132

IUPAC2-amino-3-chloro-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)ccc(Cl)c1N
InChIInChI=1S/C7H7ClFN3/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,10H2,(H3,11,12)
InChIKeyOWTMQSNBCWXPMH-UHFFFAOYSA-N
MW187.61 g/mol
LogP1.35
Rot. Bonds1

About 2-amino-3-chloro-6-fluorobenzenecarboximidamide

2-amino-3-chloro-6-fluorobenzenecarboximidamide (PubChem CID 57139132) has the molecular formula C7H7ClFN3 and a molecular weight of 187.61 g/mol. Its IUPAC name is 2-amino-3-chloro-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-3-chloro-6-fluorobenzenecarboximidamide
PubChem CID57139132
Molecular FormulaC7H7ClFN3
Molecular Weight187.61 g/mol
Exact Mass187.03
IUPAC Name2-amino-3-chloro-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)ccc(Cl)c1N
InChIInChI=1S/C7H7ClFN3/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,10H2,(H3,11,12)
InChIKeyOWTMQSNBCWXPMH-UHFFFAOYSA-N
XLogP1.35
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.61
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

4-chloro-2,3-difluorobenzenecarboximidamide
CID 174975357
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
2-amino-6-chloro-3-fluorophenol
CID 45120107
2-chloro-4,5-difluorobenzenecarboximidamide;ethane
CID 145225974
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-amino-3-chloro-6-fluorobenzenecarboximidamide (CID 57139132) is 2-amino-3-chloro-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-amino-3-chloro-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-amino-3-chloro-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)ccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-6-fluorobenzenecarboximidamide?
The InChIKey is OWTMQSNBCWXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,10H2,(H3,11,12).
What are the key properties of 2-amino-3-chloro-6-fluorobenzenecarboximidamide?
2-amino-3-chloro-6-fluorobenzenecarboximidamide has a molecular weight of 187.61 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 57139132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).