(2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane

C10H15ClN2OS — CID 23303939

IUPAC(2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane
SMILESCC(C)Oc1ccnc(Cl)c1N=S(C)C
InChIInChI=1S/C10H15ClN2OS/c1-7(2)14-8-5-6-12-10(11)9(8)13-15(3)4/h5-7H,1-4H3
InChIKeyUZLFCUIAFAVGOW-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.22
Rot. Bonds3

About (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane

(2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane (PubChem CID 23303939) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name(2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane
PubChem CID23303939
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name(2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane
SMILESCC(C)Oc1ccnc(Cl)c1N=S(C)C
InChIInChI=1S/C10H15ClN2OS/c1-7(2)14-8-5-6-12-10(11)9(8)13-15(3)4/h5-7H,1-4H3
InChIKeyUZLFCUIAFAVGOW-UHFFFAOYSA-N
XLogP3.22
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.22
H-Bond Donors ≤ 50
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-3-fluoro-4-propan-2-yloxypyridine
CID 91620513
8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline
CID 177306152
3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
CID 84684645
4-methoxy-7-methyl-6-propan-2-yloxyquinoline
CID 144937171
2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine
CID 167456388
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
2-(3-chloro-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 82303522
6-bromo-1-chloroisoquinoline;6-bromo-1-propan-2-yloxyisoquinoline
CID 161127425
2-(5-chloro-2-propan-2-yloxyphenyl)pyrimidin-4-amine;hydrochloride
CID 154906050
2,3-dichloro-6-propan-2-yloxyquinoxaline
CID 142745885
4-propan-2-yloxyquinolin-8-amine
CID 83060477
7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 84672242

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane?
The IUPAC name of (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane (CID 23303939) is (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane.
What is the SMILES notation for (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane?
The canonical SMILES for (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane is CC(C)Oc1ccnc(Cl)c1N=S(C)C.
What is the InChIKey of (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane?
The InChIKey is UZLFCUIAFAVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-7(2)14-8-5-6-12-10(11)9(8)13-15(3)4/h5-7H,1-4H3.
What are the key properties of (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane?
(2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane has a molecular weight of 246.76 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-propan-2-yloxy-3-pyridinyl)imino-dimethyl-λ4-sulfane is sourced from PubChem (CID 23303939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).