6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid

C12H15ClN2O3 — CID 114093940

IUPAC6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NC1(CO)CCCC1
InChIInChI=1S/C12H15ClN2O3/c13-9-4-3-8(11(17)18)10(14-9)15-12(7-16)5-1-2-6-12/h3-4,16H,1-2,5-7H2,(H,14,15)(H,17,18)
InChIKeyCIMFHPBPDVQWQT-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.15
Rot. Bonds4

About 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid

6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid (PubChem CID 114093940) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
PubChem CID114093940
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NC1(CO)CCCC1
InChIInChI=1S/C12H15ClN2O3/c13-9-4-3-8(11(17)18)10(14-9)15-12(7-16)5-1-2-6-12/h3-4,16H,1-2,5-7H2,(H,14,15)(H,17,18)
InChIKeyCIMFHPBPDVQWQT-UHFFFAOYSA-N
XLogP2.15
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid (CID 114093940) is 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1NC1(CO)CCCC1.
What is the InChIKey of 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The InChIKey is CIMFHPBPDVQWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-9-4-3-8(11(17)18)10(14-9)15-12(7-16)5-1-2-6-12/h3-4,16H,1-2,5-7H2,(H,14,15)(H,17,18).
What are the key properties of 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114093940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).