2-chloro-5-fluoropyrimidine-4-carboxylic acid

C5H2ClFN2O2 — CID 71700034

IUPAC2-chloro-5-fluoropyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)ncc1F
InChIInChI=1S/C5H2ClFN2O2/c6-5-8-1-2(7)3(9-5)4(10)11/h1H,(H,10,11)
InChIKeyDDCOSFCREKKHNG-UHFFFAOYSA-N
MW176.53 g/mol
LogP0.97
Rot. Bonds1

About 2-chloro-5-fluoropyrimidine-4-carboxylic acid

2-chloro-5-fluoropyrimidine-4-carboxylic acid (PubChem CID 71700034) has the molecular formula C5H2ClFN2O2 and a molecular weight of 176.53 g/mol. Its IUPAC name is 2-chloro-5-fluoropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-fluoropyrimidine-4-carboxylic acid
PubChem CID71700034
Molecular FormulaC5H2ClFN2O2
Molecular Weight176.53 g/mol
Exact Mass175.98
IUPAC Name2-chloro-5-fluoropyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(Cl)ncc1F
InChIInChI=1S/C5H2ClFN2O2/c6-5-8-1-2(7)3(9-5)4(10)11/h1H,(H,10,11)
InChIKeyDDCOSFCREKKHNG-UHFFFAOYSA-N
XLogP0.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.53
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoropyrimidine-4-carbaldehyde
CID 171934886
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol
CID 87259288
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide
CID 79081460
2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine
CID 10420021
3-chloro-5-fluoro-6-methylpyridine-2-carboxylic acid
CID 142574349
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-benzofuran-2-carboxylic acid
CID 22061034
tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine
CID 153398411
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
CID 130593845

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-5-fluoropyrimidine-4-carboxylic acid (CID 71700034) is 2-chloro-5-fluoropyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-5-fluoropyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-5-fluoropyrimidine-4-carboxylic acid is O=C(O)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoropyrimidine-4-carboxylic acid?
The InChIKey is DDCOSFCREKKHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN2O2/c6-5-8-1-2(7)3(9-5)4(10)11/h1H,(H,10,11).
What are the key properties of 2-chloro-5-fluoropyrimidine-4-carboxylic acid?
2-chloro-5-fluoropyrimidine-4-carboxylic acid has a molecular weight of 176.53 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyrimidine-4-carboxylic acid is sourced from PubChem (CID 71700034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).