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

C13H18BrClN2 — CID 103582514

IUPAC5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
SMILESCC1CCC(CNc2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C13H18BrClN2/c1-9-2-4-10(5-3-9)7-16-13-12(15)6-11(14)8-17-13/h6,8-10H,2-5,7H2,1H3,(H,16,17)
InChIKeyXHPXJNQBLDNEBL-UHFFFAOYSA-N
MW317.66 g/mol
LogP4.74
Rot. Bonds3

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

5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine (PubChem CID 103582514) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
PubChem CID103582514
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
SMILESCC1CCC(CNc2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C13H18BrClN2/c1-9-2-4-10(5-3-9)7-16-13-12(15)6-11(14)8-17-13/h6,8-10H,2-5,7H2,1H3,(H,16,17)
InChIKeyXHPXJNQBLDNEBL-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413889
3,5-dichloro-2-N-methyl-6-N-[(4-methylcyclohexyl)methyl]pyridine-2,6-diamine
CID 102758204
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
5-bromo-3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 103580083
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
CID 114046232
5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
CID 103582526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine (CID 103582514) is 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine is CC1CCC(CNc2ncc(Br)cc2Cl)CC1.
What is the InChIKey of 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine?
The InChIKey is XHPXJNQBLDNEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-9-2-4-10(5-3-9)7-16-13-12(15)6-11(14)8-17-13/h6,8-10H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine?
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine has a molecular weight of 317.66 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103582514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).