6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid

C13H17ClN2O3 — CID 63380171

IUPAC6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCN(CC1CCCCO1)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-16(8-9-4-2-3-7-19-9)12-10(13(17)18)5-6-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyQBYJINVWDVRDAP-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.44
Rot. Bonds4

About 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid

6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 63380171) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID63380171
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCN(CC1CCCCO1)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-16(8-9-4-2-3-7-19-9)12-10(13(17)18)5-6-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyQBYJINVWDVRDAP-UHFFFAOYSA-N
XLogP2.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435734
5-amino-3-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 107194637
6-chloro-2-(oxolan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 106493760
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81233414
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
CID 63868694
6-chloro-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632530
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid (CID 63380171) is 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid is CN(CC1CCCCO1)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is QBYJINVWDVRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16(8-9-4-2-3-7-19-9)12-10(13(17)18)5-6-11(14)15-12/h5-6,9H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63380171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).