3-chloro-2,4-difluoro-5-nitroaniline

C6H3ClF2N2O2 — CID 13260601

IUPAC3-chloro-2,4-difluoro-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])c(F)c(Cl)c1F
InChIInChI=1S/C6H3ClF2N2O2/c7-4-5(8)2(10)1-3(6(4)9)11(12)13/h1H,10H2
InChIKeyZYZYOZZQYYRDQG-UHFFFAOYSA-N
MW208.55 g/mol
LogP2.11
Rot. Bonds1

About 3-chloro-2,4-difluoro-5-nitroaniline

3-chloro-2,4-difluoro-5-nitroaniline (PubChem CID 13260601) has the molecular formula C6H3ClF2N2O2 and a molecular weight of 208.55 g/mol. Its IUPAC name is 3-chloro-2,4-difluoro-5-nitroaniline.

Molecular Properties

Compound Name3-chloro-2,4-difluoro-5-nitroaniline
PubChem CID13260601
Molecular FormulaC6H3ClF2N2O2
Molecular Weight208.55 g/mol
Exact Mass207.99
IUPAC Name3-chloro-2,4-difluoro-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])c(F)c(Cl)c1F
InChIInChI=1S/C6H3ClF2N2O2/c7-4-5(8)2(10)1-3(6(4)9)11(12)13/h1H,10H2
InChIKeyZYZYOZZQYYRDQG-UHFFFAOYSA-N
XLogP2.11
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.55
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
4-chloro-5-fluoro-2-nitroaniline
CID 10465141
3,4-difluoro-2-methoxy-5-nitroaniline
CID 118913135
CID 164568231
CID 164568231
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
2-amino-5-chloro-4-nitrobenzaldehyde
CID 11344681
3,4-dichloro-5-nitroaniline
CID 121228417
4-chloro-2-nitroaniline
CID 6979
5-chloro-2-fluoro-3-nitrobenzoyl chloride
CID 165349862
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760
7-chloro-8-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-10-amine
CID 15013613
2-chloro-3-fluoro-4-nitrobenzoic acid
CID 119001973

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-difluoro-5-nitroaniline?
The IUPAC name of 3-chloro-2,4-difluoro-5-nitroaniline (CID 13260601) is 3-chloro-2,4-difluoro-5-nitroaniline.
What is the SMILES notation for 3-chloro-2,4-difluoro-5-nitroaniline?
The canonical SMILES for 3-chloro-2,4-difluoro-5-nitroaniline is Nc1cc([N+](=O)[O-])c(F)c(Cl)c1F.
What is the InChIKey of 3-chloro-2,4-difluoro-5-nitroaniline?
The InChIKey is ZYZYOZZQYYRDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N2O2/c7-4-5(8)2(10)1-3(6(4)9)11(12)13/h1H,10H2.
What are the key properties of 3-chloro-2,4-difluoro-5-nitroaniline?
3-chloro-2,4-difluoro-5-nitroaniline has a molecular weight of 208.55 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-difluoro-5-nitroaniline is sourced from PubChem (CID 13260601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).