3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine

C11H11BrClN3S — CID 104506895

IUPAC3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCc2ccc(Cl)s2)c1Br
InChIInChI=1S/C11H11BrClN3S/c1-6-8(14)5-16-11(10(6)12)15-4-7-2-3-9(13)17-7/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyWOWSCXGFYFZVQQ-UHFFFAOYSA-N
MW332.65 g/mol
LogP4.06
Rot. Bonds3

About 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine

3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine (PubChem CID 104506895) has the molecular formula C11H11BrClN3S and a molecular weight of 332.65 g/mol. Its IUPAC name is 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
PubChem CID104506895
Molecular FormulaC11H11BrClN3S
Molecular Weight332.65 g/mol
Exact Mass330.95
IUPAC Name3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCc2ccc(Cl)s2)c1Br
InChIInChI=1S/C11H11BrClN3S/c1-6-8(14)5-16-11(10(6)12)15-4-7-2-3-9(13)17-7/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyWOWSCXGFYFZVQQ-UHFFFAOYSA-N
XLogP4.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
2-N-[(5-chlorothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132227
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80913534
3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
CID 104506785
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983416
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
CID 115925207
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine (CID 104506895) is 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(NCc2ccc(Cl)s2)c1Br.
What is the InChIKey of 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine?
The InChIKey is WOWSCXGFYFZVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3S/c1-6-8(14)5-16-11(10(6)12)15-4-7-2-3-9(13)17-7/h2-3,5H,4,14H2,1H3,(H,15,16).
What are the key properties of 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine?
3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine has a molecular weight of 332.65 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).