2-chloro-4-(4-nitrophenyl)-1H-pyrrole

C10H7ClN2O2 — CID 143271381

IUPAC2-chloro-4-(4-nitrophenyl)-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(-c2c[nH]c(Cl)c2)cc1
InChIInChI=1S/C10H7ClN2O2/c11-10-5-8(6-12-10)7-1-3-9(4-2-7)13(14)15/h1-6,12H
InChIKeyQJFOTGHSTZCSDG-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.24
Rot. Bonds2

About 2-chloro-4-(4-nitrophenyl)-1H-pyrrole

2-chloro-4-(4-nitrophenyl)-1H-pyrrole (PubChem CID 143271381) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-4-(4-nitrophenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-chloro-4-(4-nitrophenyl)-1H-pyrrole
PubChem CID143271381
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-4-(4-nitrophenyl)-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(-c2c[nH]c(Cl)c2)cc1
InChIInChI=1S/C10H7ClN2O2/c11-10-5-8(6-12-10)7-1-3-9(4-2-7)13(14)15/h1-6,12H
InChIKeyQJFOTGHSTZCSDG-UHFFFAOYSA-N
XLogP3.24
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-4-nitro-1H-pyrrole
CID 21459528
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290
3-[4-(4-nitrophenyl)-1H-pyrrol-2-yl]butan-1-ol
CID 57115826
3,7-bis(4-nitrophenyl)-10H-phenothiazine
CID 122381288
4-[4-(4-nitrophenyl)-1H-pyrrol-2-yl]-2,6-dipropylphenol
CID 57211478
CID 70381437
CID 70381437
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
1-chloro-4-nitrobenzene;ethane
CID 90737802
5-(4-nitrophenyl)-3H-1,3-oxazol-2-one
CID 822133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-nitrophenyl)-1H-pyrrole?
The IUPAC name of 2-chloro-4-(4-nitrophenyl)-1H-pyrrole (CID 143271381) is 2-chloro-4-(4-nitrophenyl)-1H-pyrrole.
What is the SMILES notation for 2-chloro-4-(4-nitrophenyl)-1H-pyrrole?
The canonical SMILES for 2-chloro-4-(4-nitrophenyl)-1H-pyrrole is O=[N+]([O-])c1ccc(-c2c[nH]c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-(4-nitrophenyl)-1H-pyrrole?
The InChIKey is QJFOTGHSTZCSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-10-5-8(6-12-10)7-1-3-9(4-2-7)13(14)15/h1-6,12H.
What are the key properties of 2-chloro-4-(4-nitrophenyl)-1H-pyrrole?
2-chloro-4-(4-nitrophenyl)-1H-pyrrole has a molecular weight of 222.63 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-nitrophenyl)-1H-pyrrole is sourced from PubChem (CID 143271381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).