3-chloro-2-(methylideneamino)benzenecarboximidamide

C8H8ClN3 — CID 169150849

IUPAC3-chloro-2-(methylideneamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Cl)c1N=C
InChIInChI=1S/C8H8ClN3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H2,(H3,10,11)
InChIKeyASCIMZFIYZNNES-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.96
Rot. Bonds2

About 3-chloro-2-(methylideneamino)benzenecarboximidamide

3-chloro-2-(methylideneamino)benzenecarboximidamide (PubChem CID 169150849) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 3-chloro-2-(methylideneamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-2-(methylideneamino)benzenecarboximidamide
PubChem CID169150849
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name3-chloro-2-(methylideneamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Cl)c1N=C
InChIInChI=1S/C8H8ClN3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H2,(H3,10,11)
InChIKeyASCIMZFIYZNNES-UHFFFAOYSA-N
XLogP1.96
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

biphenylene-1,8-dicarboximidamide
CID 71696896
2-(2-chlorophenyl)-2-oxoethanimidamide;hydrochloride
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CID 151921655
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
4-chloro-2,3-difluorobenzenecarboximidamide
CID 174975357
4-chloro-2-methylquinoline-8-carboximidamide
CID 82573524
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
2-(2-carbamimidoylphenoxy)-3,4-dichlorobenzenecarboximidamide
CID 141195761
2-[2-(2-chlorophenyl)ethyl]pyridine-3-carboximidamide
CID 22416542
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
CID 163938469
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CID 175298497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(methylideneamino)benzenecarboximidamide?
The IUPAC name of 3-chloro-2-(methylideneamino)benzenecarboximidamide (CID 169150849) is 3-chloro-2-(methylideneamino)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-2-(methylideneamino)benzenecarboximidamide?
The canonical SMILES for 3-chloro-2-(methylideneamino)benzenecarboximidamide is [H]/N=C(\N)c1cccc(Cl)c1N=C.
What is the InChIKey of 3-chloro-2-(methylideneamino)benzenecarboximidamide?
The InChIKey is ASCIMZFIYZNNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H2,(H3,10,11).
What are the key properties of 3-chloro-2-(methylideneamino)benzenecarboximidamide?
3-chloro-2-(methylideneamino)benzenecarboximidamide has a molecular weight of 181.63 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(methylideneamino)benzenecarboximidamide is sourced from PubChem (CID 169150849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).