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

C18H17Cl2N3OS — CID 130298348

IUPAC[2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
SMILESCl.NCc1c(-c2cccnc2)ccc(Cl)c1Sc1ncccc1CO
InChIInChI=1S/C18H16ClN3OS.ClH/c19-16-6-5-14(12-3-1-7-21-10-12)15(9-20)17(16)24-18-13(11-23)4-2-8-22-18;/h1-8,10,23H,9,11,20H2;1H
InChIKeyDYHVMLMZOCJNNP-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.32
Rot. Bonds5

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

[2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride (PubChem CID 130298348) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
PubChem CID130298348
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC Name[2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
SMILESCl.NCc1c(-c2cccnc2)ccc(Cl)c1Sc1ncccc1CO
InChIInChI=1S/C18H16ClN3OS.ClH/c19-16-6-5-14(12-3-1-7-21-10-12)15(9-20)17(16)24-18-13(11-23)4-2-8-22-18;/h1-8,10,23H,9,11,20H2;1H
InChIKeyDYHVMLMZOCJNNP-UHFFFAOYSA-N
XLogP4.32
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.32
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-4-ylphenyl]sulfanyl-3-pyridinyl]methanol
CID 129078938
[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-imidazol-1-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride
CID 129078923
[2-[2-(aminomethyl)-6-chloro-4-(4-methylsulfonylphenyl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129079099
[2-[2-(aminomethyl)-6-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]sulfanyl-3-pyridinyl]methanol
CID 129079454
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451
(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 19005903
9H-fluoren-9-ylmethyl N-[[3-chloro-2-[[3-(hydroxymethyl)-2-pyridinyl]sulfanyl]-6-morpholin-4-ylphenyl]methyl]carbamate
CID 129079152
3-[2-(chloromethyl)phenyl]pyridine;hydrochloride
CID 89497165

Frequently Asked Questions

What is the IUPAC name of [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
The IUPAC name of [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride (CID 130298348) is [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride.
What is the SMILES notation for [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
The canonical SMILES for [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride is Cl.NCc1c(-c2cccnc2)ccc(Cl)c1Sc1ncccc1CO.
What is the InChIKey of [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
The InChIKey is DYHVMLMZOCJNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS.ClH/c19-16-6-5-14(12-3-1-7-21-10-12)15(9-20)17(16)24-18-13(11-23)4-2-8-22-18;/h1-8,10,23H,9,11,20H2;1H.
What are the key properties of [2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride?
[2-[2-(aminomethyl)-6-chloro-3-pyridin-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride has a molecular weight of 394.33 g/mol, XLogP of 4.32, 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-3-ylphenyl]sulfanyl-3-pyridinyl]methanol;hydrochloride is sourced from PubChem (CID 130298348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).