N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine

C9H12ClFN2 — CID 90321062

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine
SMILESCC(F)CNCc1ccc(Cl)nc1
InChIInChI=1S/C9H12ClFN2/c1-7(11)4-12-5-8-2-3-9(10)13-6-8/h2-3,6-7,12H,4-5H2,1H3
InChIKeyYYIVUUONDLULRP-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.18
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine

N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine (PubChem CID 90321062) has the molecular formula C9H12ClFN2 and a molecular weight of 202.66 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine
PubChem CID90321062
Molecular FormulaC9H12ClFN2
Molecular Weight202.66 g/mol
Exact Mass202.07
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine
SMILESCC(F)CNCc1ccc(Cl)nc1
InChIInChI=1S/C9H12ClFN2/c1-7(11)4-12-5-8-2-3-9(10)13-6-8/h2-3,6-7,12H,4-5H2,1H3
InChIKeyYYIVUUONDLULRP-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine (CID 90321062) is N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine is CC(F)CNCc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine?
The InChIKey is YYIVUUONDLULRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2/c1-7(11)4-12-5-8-2-3-9(10)13-6-8/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine?
N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine has a molecular weight of 202.66 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2-fluoropropan-1-amine is sourced from PubChem (CID 90321062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).