1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine

C9H9ClN2O2 — CID 130545850

IUPAC1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
SMILESNC1(c2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C9H9ClN2O2/c10-6-1-2-8(12(13)14)7(5-6)9(11)3-4-9/h1-2,5H,3-4,11H2
InChIKeyGIFHRJHSXOGCOH-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.20
Rot. Bonds2

About 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine

1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine (PubChem CID 130545850) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
PubChem CID130545850
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
SMILESNC1(c2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C9H9ClN2O2/c10-6-1-2-8(12(13)14)7(5-6)9(11)3-4-9/h1-2,5H,3-4,11H2
InChIKeyGIFHRJHSXOGCOH-UHFFFAOYSA-N
XLogP2.20
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
CID 130545851
1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
CID 130160401
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
CID 58762875
CID 58762875
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
4-chloro-2-nitroaniline
CID 6979
1-[(5-chloro-2-nitrophenyl)methoxymethyl]cyclopentan-1-amine
CID 79579724
1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
CID 84785745
5-chloro-N-(1-ethylcyclobutyl)-2-nitroaniline
CID 113488868
3-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 113248967
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
4-chloro-2-isocyano-1-nitrobenzene
CID 59763197

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine (CID 130545850) is 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine is NC1(c2cc(Cl)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine?
The InChIKey is GIFHRJHSXOGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-6-1-2-8(12(13)14)7(5-6)9(11)3-4-9/h1-2,5H,3-4,11H2.
What are the key properties of 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine?
1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine has a molecular weight of 212.64 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine is sourced from PubChem (CID 130545850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).