2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid

C19H15ClN2O3 — CID 161421648

IUPAC2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid
SMILESCOc1ccccc1-c1cc(Cc2ccc(Cl)c(C(=O)O)c2)ncn1
InChIInChI=1S/C19H15ClN2O3/c1-25-18-5-3-2-4-14(18)17-10-13(21-11-22-17)8-12-6-7-16(20)15(9-12)19(23)24/h2-7,9-11H,8H2,1H3,(H,23,24)
InChIKeyFTXLYUUUXWRIFN-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.09
Rot. Bonds5

About 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid

2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid (PubChem CID 161421648) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid
PubChem CID161421648
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid
SMILESCOc1ccccc1-c1cc(Cc2ccc(Cl)c(C(=O)O)c2)ncn1
InChIInChI=1S/C19H15ClN2O3/c1-25-18-5-3-2-4-14(18)17-10-13(21-11-22-17)8-12-6-7-16(20)15(9-12)19(23)24/h2-7,9-11H,8H2,1H3,(H,23,24)
InChIKeyFTXLYUUUXWRIFN-UHFFFAOYSA-N
XLogP4.09
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]carbamate
CID 159373368
2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenol
CID 130232591
5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol
CID 160551262
N-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]-1-phenylmethanamine
CID 158170681
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
methanesulfonyl chloride;2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]aniline;N-[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methanesulfonamide
CID 158147763
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]phenyl]methyl]azanium;2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzaldehyde;phenylmethanamine;chloride
CID 158170679
5-[(6-chloropyrimidin-4-yl)methyl]-2-methoxyphenol;(4-fluoro-2-methoxyphenyl)boronic acid;5-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol
CID 159366322
4-chloro-6-(2-methoxyphenyl)pyrimidine;4,6-dichloropyrimidine;(2-methoxyphenyl)boronic acid
CID 158633238
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
4-(4-fluoro-2-methoxyphenyl)-6-[(4-fluoro-3-nitrophenyl)methyl]pyrimidine
CID 158346629
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid (CID 161421648) is 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid is COc1ccccc1-c1cc(Cc2ccc(Cl)c(C(=O)O)c2)ncn1.
What is the InChIKey of 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid?
The InChIKey is FTXLYUUUXWRIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-25-18-5-3-2-4-14(18)17-10-13(21-11-22-17)8-12-6-7-16(20)15(9-12)19(23)24/h2-7,9-11H,8H2,1H3,(H,23,24).
What are the key properties of 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid?
2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid has a molecular weight of 354.79 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 161421648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).