(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine

C12H10ClFN2 — CID 114885982

IUPAC(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFN2/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2
InChIKeyUOKNYRLKANAKDU-UHFFFAOYSA-N
MW236.68 g/mol
LogP2.92
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine

(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine (PubChem CID 114885982) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
PubChem CID114885982
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFN2/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2
InChIKeyUOKNYRLKANAKDU-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
CID 121014902
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799700
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine (CID 114885982) is (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine is NC(c1cccnc1)c1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine?
The InChIKey is UOKNYRLKANAKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c13-9-3-4-11(14)10(6-9)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2.
What are the key properties of (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine?
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine has a molecular weight of 236.68 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 114885982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).