3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine

C13H12Cl2N2 — CID 65318608

IUPAC3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2/c1-8-4-10(13(16)17-7-8)5-9-6-11(14)2-3-12(9)15/h2-4,6-7H,5H2,1H3,(H2,16,17)
InChIKeySRKNGYIGTNINFN-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.87
Rot. Bonds2

About 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine

3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine (PubChem CID 65318608) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine
PubChem CID65318608
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2/c1-8-4-10(13(16)17-7-8)5-9-6-11(14)2-3-12(9)15/h2-4,6-7H,5H2,1H3,(H2,16,17)
InChIKeySRKNGYIGTNINFN-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(fluoromethyl)-5-methylpyridin-2-amine
CID 135298839
1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene
CID 14252297
1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65316101
5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
CID 79738374
3-[(5-bromo-3-pyridinyl)methyl]-5-methylpyridin-2-amine
CID 104811386
N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
CID 103845205
4-chloro-2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 79582518
4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493
3-(ethoxymethyl)-5-methylpyridin-2-amine
CID 79568919
(2,5-dichlorophenyl)methanethiol
CID 21489083
5-bromo-3-[2-(2,5-dichlorophenyl)ethoxy]pyridin-2-amine
CID 90205672
3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
CID 79761192

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine (CID 65318608) is 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine?
The InChIKey is SRKNGYIGTNINFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8-4-10(13(16)17-7-8)5-9-6-11(14)2-3-12(9)15/h2-4,6-7H,5H2,1H3,(H2,16,17).
What are the key properties of 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine?
3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine has a molecular weight of 267.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 65318608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).