4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline

C11H10FN3O2 — CID 62328916

IUPAC4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1ccc[nH]1
InChIInChI=1S/C11H10FN3O2/c12-8-3-4-10(11(6-8)15(16)17)14-7-9-2-1-5-13-9/h1-6,13-14H,7H2
InChIKeyQEUREQBDUMFBDU-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.67
Rot. Bonds4

About 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline

4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62328916) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62328916
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1ccc[nH]1
InChIInChI=1S/C11H10FN3O2/c12-8-3-4-10(11(6-8)15(16)17)14-7-9-2-1-5-13-9/h1-6,13-14H,7H2
InChIKeyQEUREQBDUMFBDU-UHFFFAOYSA-N
XLogP2.67
TPSA70.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
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

3-nitro-4-(1H-pyrrol-2-ylmethylamino)benzonitrile
CID 78965595
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082
5-chloro-2-methyl-4-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 104667898
N-[(4-chlorophenyl)methyl]-4-fluoro-2-nitroaniline
CID 14952976
4-fluoro-2-nitro-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 43685274
2,6-difluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
CID 79882230
4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitroaniline
CID 115613228
1-N-[(4-fluorophenyl)methyl]-2-nitrobenzene-1,4-diamine
CID 53249324
4-[(4-fluorophenyl)methylamino]-3-nitrophenol
CID 43750808
N-[(4-fluorophenyl)methyl]-4-iodo-2-nitroaniline
CID 66063890
2-fluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
CID 103680801

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62328916) is 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline is O=[N+]([O-])c1cc(F)ccc1NCc1ccc[nH]1.
What is the InChIKey of 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is QEUREQBDUMFBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-8-3-4-10(11(6-8)15(16)17)14-7-9-2-1-5-13-9/h1-6,13-14H,7H2.
What are the key properties of 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline?
4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 235.22 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62328916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).