5-Phenylpyrimidine-2-carboxylic acid

HCID 608255
NotesReactions
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Basic information

CAS
85386-20-5
Standard SMILES
O=C(O)c1ncc(-c2ccccc2)cn1
InChIKey
ZONDVYAPHBZSJV-UHFFFAOYSA-N
Molecular formula
C11H8N2O2
Average molar mass
200.19 g/mol
Monoisotopic mass
200.0585775

Names & identifiers

Preferred name
5-Phenylpyrimidine-2-carboxylic acid
IUPAC
5-phenylpyrimidine-2-carboxylic acid
English name
5-PhenylpyriMidine-2-carboxylic acid
Molecular formula
C11H8N2O2
Molecular weight
200.19

Names & synonyms

5-phenylpyrimidine-2-carboxylic acid85386-20-55-Phenyl-2-pyrimidinecarboxylic acidMFCD008149412-Pyrimidinecarboxylic acid, 5-phenyl-SMR000103111MLS000106141CBMicro_019256Oprea1_049046cid_608255SCHEMBL2225522CHEMBL1399818
Show more names
BDBM79656DTXSID30345951HMS2434C155-phenylpyrimidine-2-carboxylicacidCCG-7367AKOS022646346DS-8872SB60847

Database identifiers

CAS
85386-20-5
PubChem CID
608255
DTXSID
DTXSID30345951
ChEMBL
CHEMBL1399818
Nikkaji
J581.372G

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
63.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

storage temp.
2 · 2-8°C
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers27 total

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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