(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine

C11H11BrN2S — CID 66273782

IUPAC(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1cc(Br)cs1
InChIInChI=1S/C11H11BrN2S/c1-7-2-3-14-5-9(7)11(13)10-4-8(12)6-15-10/h2-6,11H,13H2,1H3
InChIKeyWYPDDVIKWDVMSQ-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.26
Rot. Bonds2

About (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine

(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine (PubChem CID 66273782) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
PubChem CID66273782
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1C(N)c1cc(Br)cs1
InChIInChI=1S/C11H11BrN2S/c1-7-2-3-14-5-9(7)11(13)10-4-8(12)6-15-10/h2-6,11H,13H2,1H3
InChIKeyWYPDDVIKWDVMSQ-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388
(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006630
(4-methyl-3-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783767
(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006430
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(4-bromothiophen-2-yl)-(3-chloro-4-methylphenyl)methanamine
CID 107560292
3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
CID 103083620
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
CID 66272704
(4-methyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methanamine
CID 66271642
(3-methylimidazol-4-yl)-(4-methyl-3-pyridinyl)methanamine
CID 82895955

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine (CID 66273782) is (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1C(N)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is WYPDDVIKWDVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-2-3-14-5-9(7)11(13)10-4-8(12)6-15-10/h2-6,11H,13H2,1H3.
What are the key properties of (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine?
(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 283.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 66273782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).