2-Phenylpyrimidine-5-carbaldehyde - CAS 130161-46-5

Catalog:	BB007056
Product Name:	2-Phenylpyrimidine-5-carbaldehyde
CAS:	130161-46-5
Synonyms:	2-phenyl-5-pyrimidinecarboxaldehyde; 2-phenylpyrimidine-5-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-phenylpyrimidine-5-carbaldehyde
Description:	2-Phenylpyrimidine-5-carbaldehyde (CAS# 130161-46-5) is a useful research chemical.
Molecular Weight:	184.19
Molecular Formula:	C11H8N2O
Canonical SMILES:	C1=CC=C(C=C1)C2=NC=C(C=N2)C=O
InChI:	InChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
InChI Key:	AUTGLFSBJLERMV-UHFFFAOYSA-N
Boiling Point:	244 °C at 760 mmHg
Density:	1.205 g/cm³
Appearance:	White solid
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD03085924
LogP:	1.95610

Publication Number	Title	Priority Date
US-10253039-B2	Inhibitors of bacterial DNA gyrase with efficacy against gram-negative bacteria	20140514
AU-2015229174-A1	Hepatitis B core protein allosteric modulators	20140313
AU-2015229174-B2	Hepatitis B core protein allosteric modulators	20140313
AU-2019203754-A1	Hepatitis B core protein allosteric modulators	20140313
CA-2942533-A1	Hepatitis b core protein allosteric modulators	20140313

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.063662883
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.063662883
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3