5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine

C13H13ClN2O2 — CID 66218090

IUPAC5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ccc(Cl)cn2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-11-5-4-10(7-12(11)18-2)16-13-6-3-9(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyWBFGTWOCBWQWKK-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine

5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine (PubChem CID 66218090) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
PubChem CID66218090
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ccc(Cl)cn2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-11-5-4-10(7-12(11)18-2)16-13-6-3-9(14)8-15-13/h3-8H,1-2H3,(H,15,16)
InChIKeyWBFGTWOCBWQWKK-UHFFFAOYSA-N
XLogP3.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119
2-N-(4-fluoro-3-methoxyphenyl)pyridine-2,5-diamine
CID 114837203
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine (CID 66218090) is 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine is COc1ccc(Nc2ccc(Cl)cn2)cc1OC.
What is the InChIKey of 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
The InChIKey is WBFGTWOCBWQWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-11-5-4-10(7-12(11)18-2)16-13-6-3-9(14)8-15-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 264.71 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 66218090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).