6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid

C16H15ClN2O3 — CID 122054738

IUPAC6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCOC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O3/c17-11-6-4-10(5-7-11)15-12(8-9-22-15)18-14-3-1-2-13(19-14)16(20)21/h1-7,12,15H,8-9H2,(H,18,19)(H,20,21)
InChIKeyWIBCFMNICFKABE-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.38
Rot. Bonds4

About 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid

6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122054738) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122054738
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCOC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN2O3/c17-11-6-4-10(5-7-11)15-12(8-9-22-15)18-14-3-1-2-13(19-14)16(20)21/h1-7,12,15H,8-9H2,(H,18,19)(H,20,21)
InChIKeyWIBCFMNICFKABE-UHFFFAOYSA-N
XLogP3.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
CID 122055512
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
6-[(2-methoxycyclopentyl)amino]pyridine-2-carboxylic acid
CID 62238707
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82737181
3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
CID 97256978
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
6-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]pyridine-2-carboxylic acid
CID 122054004
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-phenylmethanone
CID 10266040

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid (CID 122054738) is 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2CCOC2c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is WIBCFMNICFKABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-11-6-4-10(5-7-11)15-12(8-9-22-15)18-14-3-1-2-13(19-14)16(20)21/h1-7,12,15H,8-9H2,(H,18,19)(H,20,21).
What are the key properties of 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid?
6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 318.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chlorophenyl)oxolan-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).