(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine

C8H7ClN2O3 — CID 130707398

IUPAC(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@H]1COc2c(Cl)ccc([N+](=O)[O-])c21
InChIInChI=1S/C8H7ClN2O3/c9-4-1-2-6(11(12)13)7-5(10)3-14-8(4)7/h1-2,5H,3,10H2/t5-/m0/s1
InChIKeyOOWVYELYCVNKKA-YFKPBYRVSA-N
MW214.61 g/mol
LogP1.64
Rot. Bonds1

About (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine

(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 130707398) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID130707398
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@H]1COc2c(Cl)ccc([N+](=O)[O-])c21
InChIInChI=1S/C8H7ClN2O3/c9-4-1-2-6(11(12)13)7-5(10)3-14-8(4)7/h1-2,5H,3,10H2/t5-/m0/s1
InChIKeyOOWVYELYCVNKKA-YFKPBYRVSA-N
XLogP1.64
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 130686465
7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 55294579
(4R)-5-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252428
(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131393207
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
3-amino-7-nitro-2,3-dihydro-1-benzofuran-6-ol
CID 55268871
4-chloro-7-nitro-2-benzofuran-1,3-dione
CID 118197522
2-[(2S)-azetidin-2-yl]-6-chloro-3-nitrophenol
CID 131374449
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
(4S)-5-nitro-3,4-dihydro-2H-thiochromen-4-amine
CID 130642913
1,2-dichloro-3-ethyl-4-nitrobenzene
CID 66639996
4-chloro-7-nitro-2,1,3-benzoxadiazole
CID 159389274

Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine (CID 130707398) is (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine is N[C@H]1COc2c(Cl)ccc([N+](=O)[O-])c21.
What is the InChIKey of (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OOWVYELYCVNKKA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-4-1-2-6(11(12)13)7-5(10)3-14-8(4)7/h1-2,5H,3,10H2/t5-/m0/s1.
What are the key properties of (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine?
(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 214.61 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 130707398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).