3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine

C12H11Cl2N3 — CID 63306272

IUPAC3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cccnc1CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-8-3-2-4-15-11(8)7-17-12-10(14)5-9(13)6-16-12/h2-6H,7H2,1H3,(H,16,17)
InChIKeyADSAPMWWIXWRPJ-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.70
Rot. Bonds3

About 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine

3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine (PubChem CID 63306272) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
PubChem CID63306272
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
SMILESCc1cccnc1CNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-8-3-2-4-15-11(8)7-17-12-10(14)5-9(13)6-16-12/h2-6H,7H2,1H3,(H,16,17)
InChIKeyADSAPMWWIXWRPJ-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine (CID 63306272) is 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine is Cc1cccnc1CNc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is ADSAPMWWIXWRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-8-3-2-4-15-11(8)7-17-12-10(14)5-9(13)6-16-12/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine?
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 268.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 63306272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).