[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine

C14H11ClN2S — CID 115113835

IUPAC[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(-c2cc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H11ClN2S/c15-11-2-1-10-6-14(18-13(10)7-11)12-5-9(8-16)3-4-17-12/h1-7H,8,16H2
InChIKeyNGFMNHANDQTHMV-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.08
Rot. Bonds2

About [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine

[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine (PubChem CID 115113835) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine
PubChem CID115113835
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(-c2cc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H11ClN2S/c15-11-2-1-10-6-14(18-13(10)7-11)12-5-9(8-16)3-4-17-12/h1-7H,8,16H2
InChIKeyNGFMNHANDQTHMV-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
CID 115110744
[2-(2-chlorophenyl)-4-pyridinyl]methanamine
CID 83706166
2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine
CID 142679353
(1R)-1-(6-chloro-1-benzothiophen-2-yl)ethane-1,2-diamine
CID 130749964
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine
CID 46947546
[(1R,2R,3S,4R)-4-[[2-(6-chloro-1-benzothiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
CID 71715654
4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine
CID 46947549
2-(3-fluoropropoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine
CID 46947547
(4-chloro-2-pyridinyl)methanamine
CID 22727148
3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 122516199
4-(6-chloro-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine
CID 21268229

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine (CID 115113835) is [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine is NCc1ccnc(-c2cc3ccc(Cl)cc3s2)c1.
What is the InChIKey of [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine?
The InChIKey is NGFMNHANDQTHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-2-1-10-6-14(18-13(10)7-11)12-5-9(8-16)3-4-17-12/h1-7H,8,16H2.
What are the key properties of [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine?
[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine has a molecular weight of 274.78 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 115113835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).