N-benzyl-4,5-dichloropyridin-2-amine

C12H10Cl2N2 — CID 130637880

IUPACN-benzyl-4,5-dichloropyridin-2-amine
SMILESClc1cnc(NCc2ccccc2)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-10-6-12(16-8-11(10)14)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)
InChIKeyTYIRKFWZTXBWBJ-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.00
Rot. Bonds3

About N-benzyl-4,5-dichloropyridin-2-amine

N-benzyl-4,5-dichloropyridin-2-amine (PubChem CID 130637880) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is N-benzyl-4,5-dichloropyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4,5-dichloropyridin-2-amine
PubChem CID130637880
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC NameN-benzyl-4,5-dichloropyridin-2-amine
SMILESClc1cnc(NCc2ccccc2)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-10-6-12(16-8-11(10)14)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)
InChIKeyTYIRKFWZTXBWBJ-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chloroquinolin-2-amine
CID 146441058
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide
CID 88965073
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
N-benzyl-5-ethenylpyridin-2-amine
CID 102546692
[6-(benzylamino)-3-pyridinyl]boronic acid
CID 118734755
N-benzyl-6-chloro-4-iodopyridin-2-amine
CID 87184942
N-benzyl-5-cyclopropylpyridin-2-amine
CID 171486332
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dichloropyridin-2-amine?
The IUPAC name of N-benzyl-4,5-dichloropyridin-2-amine (CID 130637880) is N-benzyl-4,5-dichloropyridin-2-amine.
What is the SMILES notation for N-benzyl-4,5-dichloropyridin-2-amine?
The canonical SMILES for N-benzyl-4,5-dichloropyridin-2-amine is Clc1cnc(NCc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-4,5-dichloropyridin-2-amine?
The InChIKey is TYIRKFWZTXBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-6-12(16-8-11(10)14)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16).
What are the key properties of N-benzyl-4,5-dichloropyridin-2-amine?
N-benzyl-4,5-dichloropyridin-2-amine has a molecular weight of 253.13 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dichloropyridin-2-amine is sourced from PubChem (CID 130637880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).