4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid

C19H19FN2O5 — CID 174663863

IUPAC4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(Cc2cc(CN3CCOCC3)cnc2F)c(C(=O)O)c1
InChIInChI=1S/C19H19FN2O5/c20-17-15(7-12(10-21-17)11-22-3-5-27-6-4-22)8-13-1-2-14(18(23)24)9-16(13)19(25)26/h1-2,7,9-10H,3-6,8,11H2,(H,23,24)(H,25,26)
InChIKeyMRUALQSSRAWHCQ-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.04
Rot. Bonds6

About 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid

4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid (PubChem CID 174663863) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid
PubChem CID174663863
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccc(Cc2cc(CN3CCOCC3)cnc2F)c(C(=O)O)c1
InChIInChI=1S/C19H19FN2O5/c20-17-15(7-12(10-21-17)11-22-3-5-27-6-4-22)8-13-1-2-14(18(23)24)9-16(13)19(25)26/h1-2,7,9-10H,3-6,8,11H2,(H,23,24)(H,25,26)
InChIKeyMRUALQSSRAWHCQ-UHFFFAOYSA-N
XLogP2.04
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
2-[2-(1,3-oxazolidin-3-yl)ethyl]terephthalic acid
CID 175359062
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
CID 131887032
CID 131887032
2-hydroxy-4-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
CID 69296468
3-(morpholin-4-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174369
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
(2,5-dichlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724256
methyl 2-methoxy-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 67106461
CID 59303659
CID 59303659
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid (CID 174663863) is 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid is O=C(O)c1ccc(Cc2cc(CN3CCOCC3)cnc2F)c(C(=O)O)c1.
What is the InChIKey of 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid?
The InChIKey is MRUALQSSRAWHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c20-17-15(7-12(10-21-17)11-22-3-5-27-6-4-22)8-13-1-2-14(18(23)24)9-16(13)19(25)26/h1-2,7,9-10H,3-6,8,11H2,(H,23,24)(H,25,26).
What are the key properties of 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid?
4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-5-(morpholin-4-ylmethyl)-3-pyridinyl]methyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174663863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).