4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol

C15H17ClN2OS — CID 62885661

IUPAC4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
SMILESCCCNc1ccc(Cl)c(CSc2ccc(O)cc2)n1
InChIInChI=1S/C15H17ClN2OS/c1-2-9-17-15-8-7-13(16)14(18-15)10-20-12-5-3-11(19)4-6-12/h3-8,19H,2,9-10H2,1H3,(H,17,18)
InChIKeySCGOAJPWVRUFEA-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.55
Rot. Bonds6

About 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol

4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol (PubChem CID 62885661) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
PubChem CID62885661
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
SMILESCCCNc1ccc(Cl)c(CSc2ccc(O)cc2)n1
InChIInChI=1S/C15H17ClN2OS/c1-2-9-17-15-8-7-13(16)14(18-15)10-20-12-5-3-11(19)4-6-12/h3-8,19H,2,9-10H2,1H3,(H,17,18)
InChIKeySCGOAJPWVRUFEA-UHFFFAOYSA-N
XLogP4.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
CID 62887050
4-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]phenol
CID 55127535
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55127461
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838
5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55127556
5-chloro-N-ethyl-6-[(4-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62886006
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63486764
5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55262087
[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62887040
5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 63487103

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol?
The IUPAC name of 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol (CID 62885661) is 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol is CCCNc1ccc(Cl)c(CSc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol?
The InChIKey is SCGOAJPWVRUFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-9-17-15-8-7-13(16)14(18-15)10-20-12-5-3-11(19)4-6-12/h3-8,19H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol?
4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol has a molecular weight of 308.83 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol is sourced from PubChem (CID 62885661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).