2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine

C10H13ClN2O — CID 130671043

IUPAC2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-7-9(3-5-14-7)13-8-2-4-12-10(11)6-8/h2,4,6-7,9H,3,5H2,1H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyDOQIOVLUKJLRGU-VXNVDRBHSA-N
MW212.68 g/mol
LogP2.32
Rot. Bonds2

About 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine

2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine (PubChem CID 130671043) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
PubChem CID130671043
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
SMILESC[C@H]1OCC[C@H]1Nc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-7-9(3-5-14-7)13-8-2-4-12-10(11)6-8/h2,4,6-7,9H,3,5H2,1H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyDOQIOVLUKJLRGU-VXNVDRBHSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.32
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

2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
CID 102824270
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
N-ethyl-4-[(2-methyloxolan-3-yl)amino]pyridine-2-carboxamide
CID 82728955
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
CID 131172392
2-chloro-N-(oxolan-3-yl)pyridin-4-amine
CID 115486637
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol
CID 107679147
4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 130891045
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
N-(2-bicyclo[4.1.0]heptanyl)-2-chloropyridin-4-amine
CID 164655530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine (CID 130671043) is 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine is C[C@H]1OCC[C@H]1Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine?
The InChIKey is DOQIOVLUKJLRGU-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-9(3-5-14-7)13-8-2-4-12-10(11)6-8/h2,4,6-7,9H,3,5H2,1H3,(H,12,13)/t7-,9-/m1/s1.
What are the key properties of 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine?
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine has a molecular weight of 212.68 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine is sourced from PubChem (CID 130671043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).