2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine

C13H12ClFN2 — CID 114050780

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cnc(Cl)c(NCc2ccccc2F)c1
InChIInChI=1S/C13H12ClFN2/c1-9-6-12(13(14)17-7-9)16-8-10-4-2-3-5-11(10)15/h2-7,16H,8H2,1H3
InChIKeyDXJWQWSISFLNNS-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine

2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine (PubChem CID 114050780) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
PubChem CID114050780
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cnc(Cl)c(NCc2ccccc2F)c1
InChIInChI=1S/C13H12ClFN2/c1-9-6-12(13(14)17-7-9)16-8-10-4-2-3-5-11(10)15/h2-7,16H,8H2,1H3
InChIKeyDXJWQWSISFLNNS-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.79
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-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050809
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
2-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 10399928
2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine
CID 114050852
2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62308969
6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
CID 114051986
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80707816
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine (CID 114050780) is 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine is Cc1cnc(Cl)c(NCc2ccccc2F)c1.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine?
The InChIKey is DXJWQWSISFLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9-6-12(13(14)17-7-9)16-8-10-4-2-3-5-11(10)15/h2-7,16H,8H2,1H3.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine?
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine has a molecular weight of 250.70 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 114050780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).