2-chloro-3-(ethylsulfanylmethyl)pyridine

C8H10ClNS — CID 62465007

IUPAC2-chloro-3-(ethylsulfanylmethyl)pyridine
SMILESCCSCc1cccnc1Cl
InChIInChI=1S/C8H10ClNS/c1-2-11-6-7-4-3-5-10-8(7)9/h3-5H,2,6H2,1H3
InChIKeyWSYAJZALZPATPB-UHFFFAOYSA-N
MW187.70 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-3-(ethylsulfanylmethyl)pyridine

2-chloro-3-(ethylsulfanylmethyl)pyridine (PubChem CID 62465007) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is 2-chloro-3-(ethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(ethylsulfanylmethyl)pyridine
PubChem CID62465007
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name2-chloro-3-(ethylsulfanylmethyl)pyridine
SMILESCCSCc1cccnc1Cl
InChIInChI=1S/C8H10ClNS/c1-2-11-6-7-4-3-5-10-8(7)9/h3-5H,2,6H2,1H3
InChIKeyWSYAJZALZPATPB-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-3-pyridinyl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 47092938
N-ethyl-3-(ethylsulfanylmethyl)pyridin-2-amine
CID 62466764
methyl 2-[(2-chloro-3-pyridinyl)methylsulfanyl]acetate
CID 62464482
2-chloro-3-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 62770937
2-chloro-3-pentylpyridine
CID 54505218
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
2-chloro-3-(2-ethylsulfanylethoxy)pyridine
CID 115646957
2-chloro-3-hexylpyridine
CID 54056214
2-chloro-3-dodecylpyridine
CID 54546812
3-[(2-chloro-3-pyridinyl)methylsulfanyl]butanoic acid
CID 66138944
3-benzyl-2-chloropyridine
CID 22768075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(ethylsulfanylmethyl)pyridine?
The IUPAC name of 2-chloro-3-(ethylsulfanylmethyl)pyridine (CID 62465007) is 2-chloro-3-(ethylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(ethylsulfanylmethyl)pyridine?
The canonical SMILES for 2-chloro-3-(ethylsulfanylmethyl)pyridine is CCSCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(ethylsulfanylmethyl)pyridine?
The InChIKey is WSYAJZALZPATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-2-11-6-7-4-3-5-10-8(7)9/h3-5H,2,6H2,1H3.
What are the key properties of 2-chloro-3-(ethylsulfanylmethyl)pyridine?
2-chloro-3-(ethylsulfanylmethyl)pyridine has a molecular weight of 187.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(ethylsulfanylmethyl)pyridine is sourced from PubChem (CID 62465007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).