2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine

C10H13ClN2O — CID 103756861

IUPAC2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine
SMILESCC1(CNc2ccnc(Cl)c2)COC1
InChIInChI=1S/C10H13ClN2O/c1-10(6-14-7-10)5-13-8-2-3-12-9(11)4-8/h2-4H,5-7H2,1H3,(H,12,13)
InChIKeyDKCJMDWEGIUUOA-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.18
Rot. Bonds3

About 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine

2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine (PubChem CID 103756861) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine
PubChem CID103756861
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine
SMILESCC1(CNc2ccnc(Cl)c2)COC1
InChIInChI=1S/C10H13ClN2O/c1-10(6-14-7-10)5-13-8-2-3-12-9(11)4-8/h2-4H,5-7H2,1H3,(H,12,13)
InChIKeyDKCJMDWEGIUUOA-UHFFFAOYSA-N
XLogP2.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 115719757
1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 103911762
2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine
CID 130685382
3-bromo-4-fluoro-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 104777237
2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
CID 130906124
methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate
CID 103742972
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
5-[(3-methyloxetan-3-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 107234691
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
CID 82835481
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridin-3-amine
CID 130161188
tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine (CID 103756861) is 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine is CC1(CNc2ccnc(Cl)c2)COC1.
What is the InChIKey of 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine?
The InChIKey is DKCJMDWEGIUUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-10(6-14-7-10)5-13-8-2-3-12-9(11)4-8/h2-4H,5-7H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine?
2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine has a molecular weight of 212.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 103756861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).