5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H16BrClN2O — CID 103580341

IUPAC5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Br)cc2Cl)CCOCC1
InChIInChI=1S/C12H16BrClN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyHJWHSIAGFRSERR-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.73
Rot. Bonds3

About 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 103580341) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID103580341
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Br)cc2Cl)CCOCC1
InChIInChI=1S/C12H16BrClN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyHJWHSIAGFRSERR-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103743095
3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103748473
5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 103582588
1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743685
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
5-bromo-3-chloro-N-(1-ethylcyclobutyl)pyridin-2-amine
CID 103582636
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114126633
4-methyl-2-N-[(4-methyloxan-4-yl)methyl]pyridine-2,5-diamine
CID 114124714
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
5-bromo-3-chloro-N-(2,2-dimethylcyclopropyl)pyridin-2-amine
CID 103582483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 103580341) is 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2ncc(Br)cc2Cl)CCOCC1.
What is the InChIKey of 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is HJWHSIAGFRSERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 319.63 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103580341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).