5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine

C11H10BrClN2O — CID 103930537

IUPAC5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2cnc(Cl)c(Br)c2)o1
InChIInChI=1S/C11H10BrClN2O/c1-7-2-3-9(16-7)6-14-8-4-10(12)11(13)15-5-8/h2-5,14H,6H2,1H3
InChIKeyMHTXXCFJCFWQOH-UHFFFAOYSA-N
MW301.57 g/mol
LogP4.01
Rot. Bonds3

About 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine

5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine (PubChem CID 103930537) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
PubChem CID103930537
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2cnc(Cl)c(Br)c2)o1
InChIInChI=1S/C11H10BrClN2O/c1-7-2-3-9(16-7)6-14-8-4-10(12)11(13)15-5-8/h2-5,14H,6H2,1H3
InChIKeyMHTXXCFJCFWQOH-UHFFFAOYSA-N
XLogP4.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
5-bromo-6-chloro-N-[(2-propylpyrazol-3-yl)methyl]pyridin-3-amine
CID 114050342
5-bromo-6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyridin-3-amine
CID 103930523
2-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]-4-chlorophenol
CID 114050301
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 54863650
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976
4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
CID 75446192
5-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridin-3-amine
CID 103930553
N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748655
3-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzonitrile
CID 113353612
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 62523397

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine (CID 103930537) is 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine is Cc1ccc(CNc2cnc(Cl)c(Br)c2)o1.
What is the InChIKey of 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine?
The InChIKey is MHTXXCFJCFWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-7-2-3-9(16-7)6-14-8-4-10(12)11(13)15-5-8/h2-5,14H,6H2,1H3.
What are the key properties of 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine?
5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine has a molecular weight of 301.57 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 103930537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).