[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol

C10H13ClN2O — CID 115762962

IUPAC[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2cccnc2Cl)CC1
InChIInChI=1S/C10H13ClN2O/c11-9-8(2-1-5-12-9)6-13-10(7-14)3-4-10/h1-2,5,13-14H,3-4,6-7H2
InChIKeyUDRZBPPTYSMYRU-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.35
Rot. Bonds4

About [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol

[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol (PubChem CID 115762962) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol
PubChem CID115762962
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol
SMILESOCC1(NCc2cccnc2Cl)CC1
InChIInChI=1S/C10H13ClN2O/c11-9-8(2-1-5-12-9)6-13-10(7-14)3-4-10/h1-2,5,13-14H,3-4,6-7H2
InChIKeyUDRZBPPTYSMYRU-UHFFFAOYSA-N
XLogP1.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile
CID 62894414
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
CID 115763018
2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
CID 82681883
[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
CID 115763060
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
[1-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)cyclopropyl]methanol
CID 115763090
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 62520137
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol
CID 104879507

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol?
The IUPAC name of [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol (CID 115762962) is [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol is OCC1(NCc2cccnc2Cl)CC1.
What is the InChIKey of [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol?
The InChIKey is UDRZBPPTYSMYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-8(2-1-5-12-9)6-13-10(7-14)3-4-10/h1-2,5,13-14H,3-4,6-7H2.
What are the key properties of [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol?
[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol has a molecular weight of 212.68 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol is sourced from PubChem (CID 115762962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).