2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde

C10H7BrFN3O — CID 166774943

IUPAC2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde
SMILESNc1cc(-n2cc(Br)cn2)cc(F)c1C=O
InChIInChI=1S/C10H7BrFN3O/c11-6-3-14-15(4-6)7-1-9(12)8(5-16)10(13)2-7/h1-5H,13H2
InChIKeyZCMJHTMWNVZUBR-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.17
Rot. Bonds2

About 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde

2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde (PubChem CID 166774943) has the molecular formula C10H7BrFN3O and a molecular weight of 284.09 g/mol. Its IUPAC name is 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde
PubChem CID166774943
Molecular FormulaC10H7BrFN3O
Molecular Weight284.09 g/mol
Exact Mass282.98
IUPAC Name2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde
SMILESNc1cc(-n2cc(Br)cn2)cc(F)c1C=O
InChIInChI=1S/C10H7BrFN3O/c11-6-3-14-15(4-6)7-1-9(12)8(5-16)10(13)2-7/h1-5H,13H2
InChIKeyZCMJHTMWNVZUBR-UHFFFAOYSA-N
XLogP2.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromopyrazol-1-yl)-5-fluorobenzaldehyde
CID 106529443
4-bromo-1-(3,4-difluorophenyl)pyrazole
CID 66521494
2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
CID 61035552
2-amino-5-(4-bromopyrazol-1-yl)phenol
CID 178025198
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
N-[4-(4-bromopyrazol-1-yl)phenyl]formamide
CID 168652639
ethyl 2-amino-5-(4-bromopyrazol-1-yl)benzoate
CID 61312078
1-bromo-4-(4-bromopyrazol-1-yl)pyrazole
CID 102044322
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
[3-(4-bromopyrazol-1-yl)-4-fluorophenyl]methanamine
CID 84712527
6-(4-bromopyrazol-1-yl)pyridine-3-carbaldehyde
CID 80631120

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde?
The IUPAC name of 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde (CID 166774943) is 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde.
What is the SMILES notation for 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde?
The canonical SMILES for 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde is Nc1cc(-n2cc(Br)cn2)cc(F)c1C=O.
What is the InChIKey of 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde?
The InChIKey is ZCMJHTMWNVZUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O/c11-6-3-14-15(4-6)7-1-9(12)8(5-16)10(13)2-7/h1-5H,13H2.
What are the key properties of 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde?
2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde has a molecular weight of 284.09 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromopyrazol-1-yl)-6-fluorobenzaldehyde is sourced from PubChem (CID 166774943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).