N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine

C10H12ClFN2 — CID 115455727

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCC1(CCl)CC1
InChIInChI=1S/C10H12ClFN2/c11-6-10(3-4-10)7-14-9-8(12)2-1-5-13-9/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyFHHRQOSMMUVTAB-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.65
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine (PubChem CID 115455727) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
PubChem CID115455727
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NCC1(CCl)CC1
InChIInChI=1S/C10H12ClFN2/c11-6-10(3-4-10)7-14-9-8(12)2-1-5-13-9/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyFHHRQOSMMUVTAB-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115456994
[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 115360754
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114600015
N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 115455827
3-[[(3-fluoro-2-pyridinyl)amino]methyl]thiolan-3-ol
CID 126769914
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine
CID 83062656
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
CID 115455809
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
5-bromo-N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridin-2-amine
CID 114047951
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103969232
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine (CID 115455727) is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine is Fc1cccnc1NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine?
The InChIKey is FHHRQOSMMUVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2/c11-6-10(3-4-10)7-14-9-8(12)2-1-5-13-9/h1-2,5H,3-4,6-7H2,(H,13,14).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine has a molecular weight of 214.67 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 115455727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).