5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid

C11H13ClN2O3 — CID 114919257

IUPAC5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCOCC2)ncc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-6-13-10(5-8(9)11(15)16)14-7-1-3-17-4-2-7/h5-7H,1-4H2,(H,13,14)(H,15,16)
InChIKeyCZAOZRVOMDCBKV-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.02
Rot. Bonds3

About 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid

5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid (PubChem CID 114919257) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid
PubChem CID114919257
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCOCC2)ncc1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-6-13-10(5-8(9)11(15)16)14-7-1-3-17-4-2-7/h5-7H,1-4H2,(H,13,14)(H,15,16)
InChIKeyCZAOZRVOMDCBKV-UHFFFAOYSA-N
XLogP2.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114919895
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114919638
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165489324
5-chloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridine-4-carboxylic acid
CID 114919582
5-chloro-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923616
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 114919974
5-chloro-N-cyclohexyl-4-[6-(oxan-4-ylamino)-2-pyridinyl]pyridin-2-amine
CID 70795336
5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carboxylic acid
CID 114919156
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923612
N-(oxan-4-yl)-5-(2-phenylethynyl)pyridin-2-amine
CID 52917035

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid (CID 114919257) is 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid is O=C(O)c1cc(NC2CCOCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
The InChIKey is CZAOZRVOMDCBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-6-13-10(5-8(9)11(15)16)14-7-1-3-17-4-2-7/h5-7H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid?
5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).