6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid

C12H14ClFN2O2 — CID 90134512

IUPAC6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)cc1N[C@H]1CCCC(F)C1
InChIInChI=1S/C12H14ClFN2O2/c13-11-5-10(9(6-15-11)12(17)18)16-8-3-1-2-7(14)4-8/h5-8H,1-4H2,(H,15,16)(H,17,18)/t7?,8-/m0/s1
InChIKeyHCRMLDDULJDJJG-MQWKRIRWSA-N
MW272.71 g/mol
LogP3.13
Rot. Bonds3

About 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid

6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid (PubChem CID 90134512) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid
PubChem CID90134512
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)cc1N[C@H]1CCCC(F)C1
InChIInChI=1S/C12H14ClFN2O2/c13-11-5-10(9(6-15-11)12(17)18)16-8-3-1-2-7(14)4-8/h5-8H,1-4H2,(H,15,16)(H,17,18)/t7?,8-/m0/s1
InChIKeyHCRMLDDULJDJJG-MQWKRIRWSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid (CID 90134512) is 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cnc(Cl)cc1N[C@H]1CCCC(F)C1.
What is the InChIKey of 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HCRMLDDULJDJJG-MQWKRIRWSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-11-5-10(9(6-15-11)12(17)18)16-8-3-1-2-7(14)4-8/h5-8H,1-4H2,(H,15,16)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid?
6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid has a molecular weight of 272.71 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90134512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).