6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol

C27H34ClMnN3O5 — CID 157117496

IUPAC6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol
SMILESCCCc1ccc(Cl)nc1C=O.CCCc1cccnc1C=O.CCCc1cccnc1CO.O=[Mn]=O
InChIInChI=1S/C9H10ClNO.C9H13NO.C9H11NO.Mn.2O/c1-2-3-7-4-5-9(10)11-8(7)6-12;2*1-2-4-8-5-3-6-10-9(8)7-11;;;/h4-6H,2-3H2,1H3;3,5-6,11H,2,4,7H2,1H3;3,5-7H,2,4H2,1H3;;;
InChIKeyNOORZMVCUNPPEG-UHFFFAOYSA-N
MW570.98 g/mol
LogP5.63
Rot. Bonds9

About 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol

6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol (PubChem CID 157117496) has the molecular formula C27H34ClMnN3O5 and a molecular weight of 570.98 g/mol. Its IUPAC name is 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol
PubChem CID157117496
Molecular FormulaC27H34ClMnN3O5
Molecular Weight570.98 g/mol
Exact Mass570.16
IUPAC Name6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol
SMILESCCCc1ccc(Cl)nc1C=O.CCCc1cccnc1C=O.CCCc1cccnc1CO.O=[Mn]=O
InChIInChI=1S/C9H10ClNO.C9H13NO.C9H11NO.Mn.2O/c1-2-3-7-4-5-9(10)11-8(7)6-12;2*1-2-4-8-5-3-6-10-9(8)7-11;;;/h4-6H,2-3H2,1H3;3,5-6,11H,2,4,7H2,1H3;3,5-7H,2,4H2,1H3;;;
InChIKeyNOORZMVCUNPPEG-UHFFFAOYSA-N
XLogP5.63
TPSA127.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.98
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-ethyl-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid
CID 132016441
4-Chloro-3-prop-1-enylpyridine-2-carboxylic acid
CID 67471256
[3-(4-Chlorophenyl)-2-pyridinyl]methanol;methyl 3-(4-chlorophenyl)pyridine-2-carboxylate
CID 70205255
4-(6-Chloro-3-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 87293363
6-Chloro-5-formyl-3-methylpyridine-2-carboxylic acid;2-chloro-5-phenylpyridine-3-carbaldehyde
CID 87446086
6-Chloro-5-formyl-3-methylpyridine-2-carboxylic acid;2-chloro-5-methylpyridine-3-carbaldehyde;2-chloro-5-phenylpyridine-3-carbaldehyde
CID 87704243
4-(2-Chloro-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 87725966
4-(2-Chloro-4-pyridinyl)-3,6-dimethylpyridine-2-carboxylic acid
CID 87726089
4-(2-Chloro-3-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 87726313
4-[6-(6-Chloro-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxylic acid
CID 87945105
5-[2-(2-Chloro-4-pyridinyl)ethynyl]pyridine-2-carboxylic acid
CID 89077748
5-[3-Chloro-5-(hydroxymethyl)-2-pyridinyl]pyridine-2-carbaldehyde
CID 89759321

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol?
The IUPAC name of 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol (CID 157117496) is 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol.
What is the SMILES notation for 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol?
The canonical SMILES for 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol is CCCc1ccc(Cl)nc1C=O.CCCc1cccnc1C=O.CCCc1cccnc1CO.O=[Mn]=O.
What is the InChIKey of 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol?
The InChIKey is NOORZMVCUNPPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.C9H13NO.C9H11NO.Mn.2O/c1-2-3-7-4-5-9(10)11-8(7)6-12;2*1-2-4-8-5-3-6-10-9(8)7-11;;;/h4-6H,2-3H2,1H3;3,5-6,11H,2,4,7H2,1H3;3,5-7H,2,4H2,1H3;;;.
What are the key properties of 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol?
6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol has a molecular weight of 570.98 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propylpyridine-2-carbaldehyde;dioxomanganese;3-propylpyridine-2-carbaldehyde;(3-propyl-2-pyridinyl)methanol is sourced from PubChem (CID 157117496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).