(3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde

C11H12ClNO2 — CID 139464523

IUPAC(3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde
SMILESCc1cc(Cl)nc([C@]2(C=O)CCOC2)c1
InChIInChI=1S/C11H12ClNO2/c1-8-4-9(13-10(12)5-8)11(6-14)2-3-15-7-11/h4-6H,2-3,7H2,1H3/t11-/m0/s1
InChIKeyLCLDKKJSYMNCIW-NSHDSACASA-N
MW225.68 g/mol
LogP1.90
Rot. Bonds2

About (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde

(3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde (PubChem CID 139464523) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde
PubChem CID139464523
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde
SMILESCc1cc(Cl)nc([C@]2(C=O)CCOC2)c1
InChIInChI=1S/C11H12ClNO2/c1-8-4-9(13-10(12)5-8)11(6-14)2-3-15-7-11/h4-6H,2-3,7H2,1H3/t11-/m0/s1
InChIKeyLCLDKKJSYMNCIW-NSHDSACASA-N
XLogP1.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenyl)oxolane-3-carbaldehyde
CID 130418265
4-(3-chlorophenyl)oxane-4-carbaldehyde
CID 42553293
[(3R)-3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolan-3-yl]methanol
CID 139464568
2-chloro-6-[(3S)-3-ethyloxolan-3-yl]pyridine-4-carbonitrile
CID 139464744
4-pyridin-2-yloxane-4-carbaldehyde
CID 83684839
3-(2-chloro-5-fluoro-4-methylphenyl)oxetane-3-carbaldehyde
CID 116872429
2-chloro-4,6-dimethyl(213C,115N)pyridine
CID 130416231
2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine
CID 139464616
6-chloro-4-N-[6-(3-methoxyoxolan-3-yl)-4-methyl-2-pyridinyl]pyridine-3,4-diamine
CID 167040265
2-[[2-chloro-6-(3-methoxyoxolan-3-yl)-4-pyridinyl]oxy]ethanol
CID 139464296
6-chloro-2-methyl-N-(3-methyloxan-3-yl)pyrimidin-4-amine
CID 103895836
3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
CID 116872428

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde?
The IUPAC name of (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde (CID 139464523) is (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde.
What is the SMILES notation for (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde?
The canonical SMILES for (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde is Cc1cc(Cl)nc([C@]2(C=O)CCOC2)c1.
What is the InChIKey of (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde?
The InChIKey is LCLDKKJSYMNCIW-NSHDSACASA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-8-4-9(13-10(12)5-8)11(6-14)2-3-15-7-11/h4-6H,2-3,7H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde?
(3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde has a molecular weight of 225.68 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-chloro-4-methyl-2-pyridinyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 139464523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).