2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

C13H12ClFN2 — CID 104821823

IUPAC2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN2/c1-9-2-3-10(7-16-9)8-17-13-5-4-11(15)6-12(13)14/h2-7,17H,8H2,1H3
InChIKeyPSIVCEWCXUCVPL-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 104821823) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID104821823
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C13H12ClFN2/c1-9-2-3-10(7-16-9)8-17-13-5-4-11(15)6-12(13)14/h2-7,17H,8H2,1H3
InChIKeyPSIVCEWCXUCVPL-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

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Related Compounds

2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104822073
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
2-chloro-5-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 113334324
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile
CID 62995378
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-[(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 29079789
4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
CID 28843551
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 104821823) is 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is Cc1ccc(CNc2ccc(F)cc2Cl)cn1.
What is the InChIKey of 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is PSIVCEWCXUCVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9-2-3-10(7-16-9)8-17-13-5-4-11(15)6-12(13)14/h2-7,17H,8H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline 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-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 104821823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).