2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine

C10H9ClN2O — CID 63204400

IUPAC2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
SMILESClc1ncccc1NCc1ccoc1
InChIInChI=1S/C10H9ClN2O/c11-10-9(2-1-4-12-10)13-6-8-3-5-14-7-8/h1-5,7,13H,6H2
InChIKeyDULZRBXMZOBOMG-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine

2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine (PubChem CID 63204400) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
PubChem CID63204400
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
SMILESClc1ncccc1NCc1ccoc1
InChIInChI=1S/C10H9ClN2O/c11-10-9(2-1-4-12-10)13-6-8-3-5-14-7-8/h1-5,7,13H,6H2
InChIKeyDULZRBXMZOBOMG-UHFFFAOYSA-N
XLogP2.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(furan-3-ylmethyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 63204353
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
2-chloro-N-(furan-2-ylmethyl)pyridin-3-amine
CID 43689872
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43689842
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444
2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
CID 63203660
N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115620858
2,6-dichloro-N-(furan-3-ylmethyl)aniline
CID 65468765
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43782408
4-[[(2-chloro-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202815
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
CID 62086085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine (CID 63204400) is 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine is Clc1ncccc1NCc1ccoc1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine?
The InChIKey is DULZRBXMZOBOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-10-9(2-1-4-12-10)13-6-8-3-5-14-7-8/h1-5,7,13H,6H2.
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine?
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine has a molecular weight of 208.65 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 63204400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).