(5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride

C7H10Cl2N2S — CID 171157606

IUPAC(5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride
SMILESCSc1cc(Cl)cnc1CN.Cl
InChIInChI=1S/C7H9ClN2S.ClH/c1-11-7-2-5(8)4-10-6(7)3-9;/h2,4H,3,9H2,1H3;1H
InChIKeyHWEBFZXPCWHBTA-UHFFFAOYSA-N
MW225.14 g/mol
LogP2.34
Rot. Bonds2

About (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride

(5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride (PubChem CID 171157606) has the molecular formula C7H10Cl2N2S and a molecular weight of 225.14 g/mol. Its IUPAC name is (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride
PubChem CID171157606
Molecular FormulaC7H10Cl2N2S
Molecular Weight225.14 g/mol
Exact Mass223.99
IUPAC Name(5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride
SMILESCSc1cc(Cl)cnc1CN.Cl
InChIInChI=1S/C7H9ClN2S.ClH/c1-11-7-2-5(8)4-10-6(7)3-9;/h2,4H,3,9H2,1H3;1H
InChIKeyHWEBFZXPCWHBTA-UHFFFAOYSA-N
XLogP2.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-chloropyridin-3-ol
CID 133057163
[5-chloro-3-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
CID 110208958
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine
CID 79734658
2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine
CID 84660779
4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
[5-(chloromethyl)-2-methylsulfanylpyrimidin-4-yl]methanamine;hydrochloride
CID 68701908
(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
CID 55271248
6-chloro-3-(2-methylsulfanylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 107645396
(1S)-1-(5-chloro-2-fluoro-3-pyridinyl)ethanamine
CID 130907422
5-chloro-2-methyl-3-nitrososulfanylpyridine
CID 89387191
(3,5-dibromo-2-pyridinyl)methanamine;hydrochloride
CID 133055680
6-(aminomethyl)-5-fluoropyridin-3-amine
CID 133061809

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride (CID 171157606) is (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride is CSc1cc(Cl)cnc1CN.Cl.
What is the InChIKey of (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride?
The InChIKey is HWEBFZXPCWHBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S.ClH/c1-11-7-2-5(8)4-10-6(7)3-9;/h2,4H,3,9H2,1H3;1H.
What are the key properties of (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride?
(5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride has a molecular weight of 225.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methylsulfanyl-2-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 171157606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).