[2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol

C18H16ClN3OS — CID 129078938

IUPAC[2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol
SMILESNCc1c(-c2ccncc2)ccc(Cl)c1Sc1ncccc1CO
InChIInChI=1S/C18H16ClN3OS/c19-16-4-3-14(12-5-8-21-9-6-12)15(10-20)17(16)24-18-13(11-23)2-1-7-22-18/h1-9,23H,10-11,20H2
InChIKeyLXDOWSQDYBQUAW-UHFFFAOYSA-N
MW357.87 g/mol
LogP3.90
Rot. Bonds5

About [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol

[2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol (PubChem CID 129078938) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol
PubChem CID129078938
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name[2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol
SMILESNCc1c(-c2ccncc2)ccc(Cl)c1Sc1ncccc1CO
InChIInChI=1S/C18H16ClN3OS/c19-16-4-3-14(12-5-8-21-9-6-12)15(10-20)17(16)24-18-13(11-23)2-1-7-22-18/h1-9,23H,10-11,20H2
InChIKeyLXDOWSQDYBQUAW-UHFFFAOYSA-N
XLogP3.90
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(aminomethyl)-6-chloro-3-phenylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079624
[2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 130298348
[2-[2-(aminomethyl)-3-bromo-6-chlorophenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079381
[2-[2-(aminomethyl)-6-chloro-3-morpholin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079067
[2-[2-(aminomethyl)-6-chloro-4-(2-fluoro-4-pyridinyl)phenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129079156
[2-[2-(aminomethyl)-6-chloro-4-(4-methylsulfonylphenyl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129079099
[2-[2-(aminomethyl)-6-chloro-4-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129078923
[2-[2-(aminomethyl)-6-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129079454
[2-[2-(aminomethyl)-6-chloro-4-(3-phenylmethoxyprop-1-ynyl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129078853
9H-fluoren-9-ylmethyl N-[[3-chloro-2-[[3-(hydroxymethyl)-2-pyridinyl]sulfanyl]-6-morpholin-4-ylphenyl]methyl]carbamate
CID 129079152
9H-fluoren-9-ylmethyl N-[[3-chloro-2-[[3-(hydroxymethyl)-2-pyridinyl]sulfanyl]-5-(2-methyl-4-pyridinyl)phenyl]methyl]carbamate
CID 129079038
2-amino-3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-ol
CID 170892468

Frequently Asked Questions

What is the IUPAC name of [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol?
The IUPAC name of [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol (CID 129078938) is [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol?
The canonical SMILES for [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol is NCc1c(-c2ccncc2)ccc(Cl)c1Sc1ncccc1CO.
What is the InChIKey of [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol?
The InChIKey is LXDOWSQDYBQUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-16-4-3-14(12-5-8-21-9-6-12)15(10-20)17(16)24-18-13(11-23)2-1-7-22-18/h1-9,23H,10-11,20H2.
What are the key properties of [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol?
[2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol has a molecular weight of 357.87 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(aminomethyl)-6-chloro-3-pyridin-4-ylphenyl]sulfanyl-3-pyridinyl]methanol is sourced from PubChem (CID 129078938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).