2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine

C9H13ClN2O2 — CID 11435894

IUPAC2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine
SMILESCOC(CNc1cccnc1Cl)OC
InChIInChI=1S/C9H13ClN2O2/c1-13-8(14-2)6-12-7-4-3-5-11-9(7)10/h3-5,8,12H,6H2,1-2H3
InChIKeyWZKZNKKDJNEIOT-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.77
Rot. Bonds5

About 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine

2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine (PubChem CID 11435894) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine
PubChem CID11435894
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine
SMILESCOC(CNc1cccnc1Cl)OC
InChIInChI=1S/C9H13ClN2O2/c1-13-8(14-2)6-12-7-4-3-5-11-9(7)10/h3-5,8,12H,6H2,1-2H3
InChIKeyWZKZNKKDJNEIOT-UHFFFAOYSA-N
XLogP1.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
(6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester
CID 7330593
N-(2-chloropyridin-3-yl)butanamide
CID 836741
6-chloro-N-methylpyridin-3-amine
CID 15515118
2-Chloro-N-methylpyridin-3-amine
CID 15164127
N-butyl-6-chloropyridin-3-amine
CID 22450493
N4-(2-methoxyethyl)pyridine-3,4-diamine
CID 28318597
5-chloro-N-methylpyridin-3-amine
CID 57763173
N-(2-chloropyridin-3-yl)acetamide
CID 4338791
6-chloro-N-[[(5R)-5-methyl-1,2-dihydropyrrol-5-yl]methyl]pyridin-3-amine
CID 44391687
6-chloro-N-(oxiran-2-ylmethyl)pyridin-3-amine
CID 44410146
6-chloro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 44410147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine (CID 11435894) is 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine is COC(CNc1cccnc1Cl)OC.
What is the InChIKey of 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine?
The InChIKey is WZKZNKKDJNEIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-13-8(14-2)6-12-7-4-3-5-11-9(7)10/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine?
2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine has a molecular weight of 216.67 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethoxyethyl)pyridin-3-amine is sourced from PubChem (CID 11435894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).