1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine

C13H11ClF2N2 — CID 83338791

IUPAC1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
SMILESFc1cccc(F)c1CNCc1ccc(Cl)nc1
InChIInChI=1S/C13H11ClF2N2/c14-13-5-4-9(7-18-13)6-17-8-10-11(15)2-1-3-12(10)16/h1-5,7,17H,6,8H2
InChIKeyPYDKVYSXVPAGHB-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.30
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine

1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine (PubChem CID 83338791) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
PubChem CID83338791
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
SMILESFc1cccc(F)c1CNCc1ccc(Cl)nc1
InChIInChI=1S/C13H11ClF2N2/c14-13-5-4-9(7-18-13)6-17-8-10-11(15)2-1-3-12(10)16/h1-5,7,17H,6,8H2
InChIKeyPYDKVYSXVPAGHB-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
CID 110898133
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline
CID 163207536
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride
CID 115607264
N-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 115683638
2-[4-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905682
N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine
CID 175725518
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
N-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115683712

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine (CID 83338791) is 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine is Fc1cccc(F)c1CNCc1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine?
The InChIKey is PYDKVYSXVPAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c14-13-5-4-9(7-18-13)6-17-8-10-11(15)2-1-3-12(10)16/h1-5,7,17H,6,8H2.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine?
1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine has a molecular weight of 268.69 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 83338791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).