5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine

C13H12BrClN2O2 — CID 61373201

IUPAC5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(OC)c(Nc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C13H12BrClN2O2/c1-18-11-6-12(19-2)10(5-9(11)15)17-13-4-3-8(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyPSRFQOMTEYDVHP-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.26
Rot. Bonds4

About 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine

5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine (PubChem CID 61373201) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
PubChem CID61373201
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(OC)c(Nc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C13H12BrClN2O2/c1-18-11-6-12(19-2)10(5-9(11)15)17-13-4-3-8(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyPSRFQOMTEYDVHP-UHFFFAOYSA-N
XLogP4.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
2-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173617
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
CID 113022491
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
CID 79532276
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridazin-3-amine
CID 43329630
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80926961
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
5-bromo-N-(3-ethyl-4-methoxyphenyl)pyridin-2-amine
CID 115146469
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine (CID 61373201) is 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine is COc1cc(OC)c(Nc2ccc(Br)cn2)cc1Cl.
What is the InChIKey of 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine?
The InChIKey is PSRFQOMTEYDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-18-11-6-12(19-2)10(5-9(11)15)17-13-4-3-8(14)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine?
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 343.61 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 61373201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).