3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid

C10H10Cl2N2O3 — CID 2363719

IUPAC3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(N2CCOCC2)c1Cl
InChIInChI=1S/C10H10Cl2N2O3/c11-6-5-13-8(10(15)16)7(12)9(6)14-1-3-17-4-2-14/h5H,1-4H2,(H,15,16)
InChIKeyPBCSVRIHXTZTAO-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.92
Rot. Bonds2

About 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid

3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid (PubChem CID 2363719) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid
PubChem CID2363719
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(N2CCOCC2)c1Cl
InChIInChI=1S/C10H10Cl2N2O3/c11-6-5-13-8(10(15)16)7(12)9(6)14-1-3-17-4-2-14/h5H,1-4H2,(H,15,16)
InChIKeyPBCSVRIHXTZTAO-UHFFFAOYSA-N
XLogP1.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 91557117
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 43038049
5-chloro-4-morpholin-4-ylpyridin-3-amine
CID 126978057
(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid
CID 66513268
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
2-chloro-N-(5-chloro-2-morpholin-4-yl-4-pyridinyl)acetamide
CID 139405306
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid
CID 83868980
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
3,5-diamino-4-morpholin-4-ylbenzoic acid
CID 121474247

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid?
The IUPAC name of 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid (CID 2363719) is 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid?
The canonical SMILES for 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid is O=C(O)c1ncc(Cl)c(N2CCOCC2)c1Cl.
What is the InChIKey of 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid?
The InChIKey is PBCSVRIHXTZTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c11-6-5-13-8(10(15)16)7(12)9(6)14-1-3-17-4-2-14/h5H,1-4H2,(H,15,16).
What are the key properties of 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid?
3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid has a molecular weight of 277.11 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-morpholin-4-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 2363719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).