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

C14H14BrClN2 — CID 106900156

IUPAC5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
SMILESCCc1ccc(CNc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C14H14BrClN2/c1-2-10-3-5-11(6-4-10)8-17-14-13(16)7-12(15)9-18-14/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyZSXUORDDRUVEOE-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.67
Rot. Bonds4

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

5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine (PubChem CID 106900156) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
PubChem CID106900156
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
SMILESCCc1ccc(CNc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C14H14BrClN2/c1-2-10-3-5-11(6-4-10)8-17-14-13(16)7-12(15)9-18-14/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyZSXUORDDRUVEOE-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610909
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
CID 106901036
5-bromo-3-chloro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 82489662
5-bromo-3-chloro-N-[(3-nitrophenyl)methyl]pyridin-2-amine
CID 103580153
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 103582865
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403591
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine (CID 106900156) is 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine is CCc1ccc(CNc2ncc(Br)cc2Cl)cc1.
What is the InChIKey of 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine?
The InChIKey is ZSXUORDDRUVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-2-10-3-5-11(6-4-10)8-17-14-13(16)7-12(15)9-18-14/h3-7,9H,2,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine?
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 4.67, 4 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-ethylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 106900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).