4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine

C12H10Cl2N2 — CID 54402411

IUPAC4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
SMILESNc1cc(Cc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C12H10Cl2N2/c13-10-2-1-8(6-11(10)14)5-9-3-4-16-12(15)7-9/h1-4,6-7H,5H2,(H2,15,16)
InChIKeyMOEROKYWZZMNCB-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.56
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine

4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine (PubChem CID 54402411) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
PubChem CID54402411
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
SMILESNc1cc(Cc2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C12H10Cl2N2/c13-10-2-1-8(6-11(10)14)5-9-3-4-16-12(15)7-9/h1-4,6-7H,5H2,(H2,15,16)
InChIKeyMOEROKYWZZMNCB-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 81492517
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
4-(2-chloroethyl)pyridin-2-amine
CID 91610191
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine
CID 102620314
ethane;4-ethylpyridin-2-amine
CID 144736585
5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
CID 82084834
S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine
CID 143465794
4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine
CID 114663333

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine (CID 54402411) is 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine is Nc1cc(Cc2ccc(Cl)c(Cl)c2)ccn1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
The InChIKey is MOEROKYWZZMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-2-1-8(6-11(10)14)5-9-3-4-16-12(15)7-9/h1-4,6-7H,5H2,(H2,15,16).
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine?
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine has a molecular weight of 253.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 54402411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).