(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane

C10H15ClNO2PS — CID 174288236

IUPAC(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane
SMILESCCOP(CSc1ccncc1Cl)OCC
InChIInChI=1S/C10H15ClNO2PS/c1-3-13-15(14-4-2)8-16-10-5-6-12-7-9(10)11/h5-7H,3-4,8H2,1-2H3
InChIKeyJICDXXISQIWHNT-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.17
Rot. Bonds7

About (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane

(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane (PubChem CID 174288236) has the molecular formula C10H15ClNO2PS and a molecular weight of 279.73 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane
PubChem CID174288236
Molecular FormulaC10H15ClNO2PS
Molecular Weight279.73 g/mol
Exact Mass279.02
IUPAC Name(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane
SMILESCCOP(CSc1ccncc1Cl)OCC
InChIInChI=1S/C10H15ClNO2PS/c1-3-13-15(14-4-2)8-16-10-5-6-12-7-9(10)11/h5-7H,3-4,8H2,1-2H3
InChIKeyJICDXXISQIWHNT-UHFFFAOYSA-N
XLogP4.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 79840245
3-chloro-4-propan-2-ylsulfanylpyridine
CID 23436924
1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol
CID 116711097
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
[1-(3-chloro-4-pyridinyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274087
3-chloro-4-(methylsulfanylmethyl)pyridine
CID 126992001
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
6-chloro-7-ethoxy-9H-pyrido[3,4-b]indole
CID 141129553

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane?
The IUPAC name of (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane (CID 174288236) is (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane.
What is the SMILES notation for (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane?
The canonical SMILES for (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane is CCOP(CSc1ccncc1Cl)OCC.
What is the InChIKey of (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane?
The InChIKey is JICDXXISQIWHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClNO2PS/c1-3-13-15(14-4-2)8-16-10-5-6-12-7-9(10)11/h5-7H,3-4,8H2,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane?
(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane has a molecular weight of 279.73 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane is sourced from PubChem (CID 174288236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).